REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2dwo_1_A DATA FIRST_RESID 2 DATA SEQUENCE LELTQSRVQK IWVPVDHRPS LPRSCGPXXX NSPTVIVMVG LPARGKTYIS DATA SEQUENCE KKLTRYLNWI GVPTKVFNVG EYRREAVKQY SSYNFFRPDN EEAMKVRKQC DATA SEQUENCE ALAALRDVKS YLAKEGGQIA VFDATNTTRE RRHMILHFAK ENDFKAFFIE DATA SEQUENCE SVCDDPTVVA SNIMEVKISS PDYKDCNSAE AMDDFMKRIS CYEASYQPLD DATA SEQUENCE PDKCDRDLSL IKVIDVGRRF LVNRVQDHIQ SRIVYYLMNI HVQPRTIYLC DATA SEQUENCE RHGENEHNLQ GRIGGDSGLS SRGKKFASAL SKFVEEQNLK DLRVWTSQLK DATA SEQUENCE STIQTAEALR LPYEQWKALN EIDAGVCEEL TYEEIRDTYP EEYALREQDK DATA SEQUENCE YYYRYPTGES YQDLVQRLEP VIMELERQEN VLVICHQAVL RCLLAYFLDK DATA SEQUENCE SAEEMPYLKC PLHTVLKLTP VAYGCRVESI YLNVESVCTH RERSXXXXXX DATA SEQUENCE XNPLMRRNS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 L HA 0.000 nan 4.340 nan 0.000 0.249 2 L C 0.000 176.847 176.870 -0.039 0.000 1.165 2 L CA 0.000 54.814 54.840 -0.043 0.000 0.813 2 L CB 0.000 42.044 42.059 -0.026 0.000 0.961 3 E N 2.308 122.499 120.200 -0.014 0.000 2.063 3 E HA 0.585 4.935 4.350 0.001 0.000 0.265 3 E C -1.231 175.379 176.600 0.018 0.000 0.919 3 E CA -0.213 56.189 56.400 0.004 0.000 0.756 3 E CB 0.631 30.346 29.700 0.024 0.000 1.120 3 E HN 0.194 nan 8.360 nan 0.000 0.414 4 L N 2.293 123.547 121.223 0.053 0.000 2.313 4 L HA 0.625 4.966 4.340 0.001 0.000 0.268 4 L C 0.214 177.262 176.870 0.297 0.000 1.010 4 L CA -0.972 53.960 54.840 0.154 0.000 0.814 4 L CB 2.116 44.292 42.059 0.195 0.000 1.304 4 L HN 0.338 nan 8.230 nan 0.000 0.441 5 T N -0.111 114.621 114.554 0.296 0.000 2.900 5 T HA 0.264 4.615 4.350 0.001 0.000 0.295 5 T C -1.117 173.567 174.700 -0.027 0.000 1.044 5 T CA -0.500 61.719 62.100 0.198 0.000 0.995 5 T CB 1.769 70.664 68.868 0.045 0.000 1.072 5 T HN 0.621 nan 8.240 nan 0.000 0.473 6 Q N 2.716 122.233 119.800 -0.472 0.000 2.296 6 Q HA 0.478 4.819 4.340 0.001 0.000 0.257 6 Q C 0.076 175.816 176.000 -0.433 0.000 0.942 6 Q CA -0.704 54.578 55.803 -0.868 0.000 0.939 6 Q CB 0.726 28.570 28.738 -1.489 0.000 1.198 6 Q HN 0.825 nan 8.270 nan 0.000 0.429 7 S N 3.808 119.307 115.700 -0.334 0.000 2.549 7 S HA 0.075 4.546 4.470 0.001 0.000 0.286 7 S C 0.796 175.272 174.600 -0.206 0.000 1.314 7 S CA -0.312 57.763 58.200 -0.208 0.000 1.062 7 S CB 1.110 64.211 63.200 -0.165 0.000 0.865 7 S HN 0.807 nan 8.310 nan 0.000 0.498 8 R N 1.909 122.331 120.500 -0.130 0.000 2.092 8 R HA -0.040 4.301 4.340 0.001 0.000 0.231 8 R C 1.850 178.106 176.300 -0.075 0.000 1.119 8 R CA 1.318 57.364 56.100 -0.091 0.000 0.970 8 R CB -0.686 29.596 30.300 -0.030 0.000 0.864 8 R HN 0.630 nan 8.270 nan 0.000 0.440 9 V N 0.940 120.819 119.914 -0.058 0.000 2.283 9 V HA -0.168 3.953 4.120 0.001 0.000 0.239 9 V C 2.141 178.136 176.094 -0.166 0.000 1.035 9 V CA 1.510 63.797 62.300 -0.021 0.000 1.018 9 V CB -0.424 31.425 31.823 0.045 0.000 0.658 9 V HN 0.293 nan 8.190 nan 0.000 0.459 10 Q N -0.191 119.527 119.800 -0.138 0.000 2.378 10 Q HA -0.033 4.308 4.340 0.001 0.000 0.205 10 Q C 0.131 175.999 176.000 -0.220 0.000 0.954 10 Q CA 0.204 55.912 55.803 -0.158 0.000 0.901 10 Q CB 0.134 28.815 28.738 -0.095 0.000 0.981 10 Q HN 0.420 nan 8.270 nan 0.000 0.483 11 K N 0.122 120.365 120.400 -0.262 0.000 3.192 11 K HA -0.163 4.158 4.320 0.001 0.000 0.278 11 K C -0.655 175.732 176.600 -0.354 0.000 1.164 11 K CA 0.571 56.659 56.287 -0.332 0.000 0.816 11 K CB -1.808 30.517 32.500 -0.292 0.000 1.256 11 K HN 0.223 nan 8.250 nan 0.000 0.497 12 I N 0.492 120.888 120.570 -0.290 0.000 2.331 12 I HA 0.178 4.348 4.170 0.001 0.000 0.292 12 I C 0.788 176.767 176.117 -0.231 0.000 0.998 12 I CA -0.660 60.521 61.300 -0.197 0.000 1.267 12 I CB 0.443 38.383 38.000 -0.100 0.000 1.386 12 I HN 0.056 nan 8.210 nan 0.000 0.476 13 W N 7.020 128.295 121.300 -0.042 0.000 2.356 13 W HA 0.423 5.083 4.660 0.001 0.000 0.311 13 W C 0.305 176.800 176.519 -0.040 0.000 1.328 13 W CA -0.337 56.985 57.345 -0.038 0.000 1.251 13 W CB 0.717 30.157 29.460 -0.033 0.000 1.280 13 W HN 0.325 nan 8.180 nan 0.000 0.524 14 V N 2.525 122.539 119.914 0.166 0.000 2.914 14 V HA 0.671 4.792 4.120 0.001 0.000 0.314 14 V C -2.385 173.756 176.094 0.077 0.000 1.084 14 V CA -3.472 58.877 62.300 0.082 0.000 0.963 14 V CB 1.899 33.729 31.823 0.011 0.000 1.025 14 V HN 0.306 nan 8.190 nan 0.000 0.432 15 P HA 0.168 nan 4.420 nan 0.000 0.271 15 P C 0.040 177.319 177.300 -0.035 0.000 1.220 15 P CA 0.184 63.288 63.100 0.008 0.000 0.768 15 P CB 1.252 32.950 31.700 -0.004 0.000 0.848 16 V N 0.875 120.745 119.914 -0.074 0.000 2.485 16 V HA 0.149 4.270 4.120 0.001 0.000 0.287 16 V C 0.317 176.271 176.094 -0.233 0.000 1.022 16 V CA -0.305 61.881 62.300 -0.190 0.000 1.067 16 V CB -0.286 31.340 31.823 -0.329 0.000 0.967 16 V HN 0.572 nan 8.190 nan 0.000 0.479 17 D N 3.342 123.635 120.400 -0.178 0.000 2.493 17 D HA 0.127 4.768 4.640 0.001 0.000 0.235 17 D C 0.086 176.344 176.300 -0.070 0.000 1.117 17 D CA -0.489 53.449 54.000 -0.103 0.000 0.930 17 D CB 0.076 40.850 40.800 -0.043 0.000 1.010 17 D HN 0.659 nan 8.370 nan 0.000 0.514 18 H N 2.376 121.453 119.070 0.010 0.000 3.513 18 H HA 0.117 4.674 4.556 0.001 0.000 0.253 18 H C 0.539 175.870 175.328 0.006 0.000 1.514 18 H CA -0.009 56.044 56.048 0.008 0.000 1.565 18 H CB -0.144 29.624 29.762 0.009 0.000 1.776 18 H HN 0.224 nan 8.280 nan 0.000 0.562 19 R N 3.141 123.700 120.500 0.100 0.000 2.619 19 R HA -0.022 4.319 4.340 0.001 0.000 0.268 19 R C -1.484 174.850 176.300 0.056 0.000 0.990 19 R CA -0.717 55.418 56.100 0.058 0.000 1.092 19 R CB 0.082 30.403 30.300 0.036 0.000 0.935 19 R HN 0.454 nan 8.270 nan 0.000 0.415 20 P HA -0.033 nan 4.420 nan 0.000 0.275 20 P C 0.265 177.578 177.300 0.020 0.000 1.270 20 P CA -0.236 62.881 63.100 0.028 0.000 0.791 20 P CB 0.481 32.194 31.700 0.021 0.000 1.089 21 S N -0.124 115.583 115.700 0.013 0.000 2.381 21 S HA -0.188 4.283 4.470 0.001 0.000 0.230 21 S C 0.955 175.561 174.600 0.010 0.000 1.052 21 S CA 1.369 59.575 58.200 0.009 0.000 1.068 21 S CB -0.940 62.264 63.200 0.006 0.000 0.918 21 S HN 0.323 nan 8.310 nan 0.000 0.448 22 L N 3.402 124.631 121.223 0.009 0.000 2.387 22 L HA 0.511 4.852 4.340 0.001 0.000 0.259 22 L C -2.366 174.509 176.870 0.009 0.000 1.050 22 L CA -2.476 52.368 54.840 0.008 0.000 0.922 22 L CB 0.650 42.713 42.059 0.005 0.000 1.280 22 L HN 0.154 nan 8.230 nan 0.000 0.449 23 P HA 0.156 nan 4.420 nan 0.000 0.268 23 P C -0.224 177.079 177.300 0.005 0.000 1.204 23 P CA -0.133 62.973 63.100 0.010 0.000 0.768 23 P CB 1.157 32.864 31.700 0.011 0.000 0.842 24 R N 0.938 121.440 120.500 0.004 0.000 2.691 24 R HA 0.433 4.774 4.340 0.001 0.000 0.259 24 R C 1.109 177.409 176.300 -0.001 0.000 1.048 24 R CA -0.462 55.639 56.100 0.001 0.000 1.086 24 R CB 1.311 31.612 30.300 0.001 0.000 1.166 24 R HN 0.570 nan 8.270 nan 0.000 0.526 25 S N -0.875 114.823 115.700 -0.003 0.000 3.019 25 S HA 0.096 4.567 4.470 0.001 0.000 0.258 25 S C 0.498 175.094 174.600 -0.007 0.000 1.082 25 S CA 0.436 58.633 58.200 -0.006 0.000 0.836 25 S CB -0.078 63.118 63.200 -0.006 0.000 0.834 25 S HN 0.818 nan 8.310 nan 0.000 0.457 26 C N 0.265 119.562 119.300 -0.006 0.000 0.168 26 C HA 0.260 4.721 4.460 0.001 0.000 0.017 26 C C 1.538 176.523 174.990 -0.008 0.000 0.171 26 C CA 0.168 59.182 59.018 -0.007 0.000 0.499 26 C CB -1.932 25.804 27.740 -0.007 0.000 3.212 26 C HN 2.214 nan 8.230 nan 0.000 1.118 27 G N 0.884 109.678 108.800 -0.010 0.000 2.829 27 G HA2 0.354 4.315 3.960 0.001 0.000 0.628 27 G HA3 0.354 4.315 3.960 0.001 0.000 0.628 27 G C -1.142 173.751 174.900 -0.010 0.000 1.412 27 G CA 0.141 45.234 45.100 -0.012 0.000 0.864 27 G HN 1.663 nan 8.290 nan 0.000 0.544 33 S N 2.751 118.474 115.700 0.039 0.000 2.593 33 S HA 0.072 4.542 4.470 0.001 0.000 0.300 33 S C -1.502 173.120 174.600 0.037 0.000 1.267 33 S CA -0.173 58.062 58.200 0.058 0.000 1.065 33 S CB 0.172 63.418 63.200 0.076 0.000 0.807 33 S HN 0.450 nan 8.310 nan 0.000 0.499 34 P HA 0.135 nan 4.420 nan 0.000 0.271 34 P C -0.613 176.627 177.300 -0.101 0.000 1.233 34 P CA -0.237 62.801 63.100 -0.105 0.000 0.789 34 P CB 0.409 31.947 31.700 -0.270 0.000 0.951 35 T N 0.182 114.662 114.554 -0.123 0.000 2.861 35 T HA 0.340 4.690 4.350 0.001 0.000 0.287 35 T C -0.424 174.239 174.700 -0.061 0.000 1.003 35 T CA -0.474 61.593 62.100 -0.056 0.000 0.977 35 T CB 1.227 70.087 68.868 -0.014 0.000 0.996 35 T HN 0.075 nan 8.240 nan 0.000 0.448 36 V N 4.455 124.358 119.914 -0.019 0.000 2.350 36 V HA 0.405 4.526 4.120 0.001 0.000 0.276 36 V C 0.098 176.205 176.094 0.022 0.000 1.028 36 V CA -0.728 61.572 62.300 0.001 0.000 0.860 36 V CB 0.768 32.608 31.823 0.028 0.000 0.990 36 V HN 0.779 nan 8.190 nan 0.000 0.453 37 I N 5.452 126.071 120.570 0.081 0.000 2.371 37 I HA 0.288 4.459 4.170 0.001 0.000 0.290 37 I C -0.303 175.846 176.117 0.053 0.000 1.028 37 I CA -0.366 61.000 61.300 0.110 0.000 1.345 37 I CB 1.643 39.760 38.000 0.195 0.000 1.407 37 I HN 0.285 nan 8.210 nan 0.000 0.501 38 V N 7.254 127.095 119.914 -0.123 0.000 2.328 38 V HA 0.297 4.418 4.120 0.001 0.000 0.278 38 V C 0.440 176.581 176.094 0.077 0.000 1.021 38 V CA -0.716 61.546 62.300 -0.065 0.000 0.838 38 V CB 1.180 32.731 31.823 -0.454 0.000 0.999 38 V HN 0.599 nan 8.190 nan 0.000 0.447 39 M N 4.994 124.673 119.600 0.131 0.000 2.242 39 M HA 0.492 4.973 4.480 0.001 0.000 0.344 39 M C -0.416 175.974 176.300 0.150 0.000 1.140 39 M CA -0.039 55.333 55.300 0.120 0.000 1.160 39 M CB 1.141 33.782 32.600 0.068 0.000 1.491 39 M HN 0.369 nan 8.290 nan 0.000 0.459 40 V N 0.951 120.954 119.914 0.147 0.000 2.808 40 V HA 0.959 5.080 4.120 0.001 0.000 0.308 40 V C 0.106 176.253 176.094 0.088 0.000 1.099 40 V CA -0.515 61.878 62.300 0.156 0.000 0.920 40 V CB 1.946 33.908 31.823 0.232 0.000 1.014 40 V HN 1.100 nan 8.190 nan 0.000 0.425 41 G N 2.784 111.579 108.800 -0.009 0.000 2.333 41 G HA2 0.236 4.197 3.960 0.001 0.000 0.330 41 G HA3 0.236 4.197 3.960 0.001 0.000 0.330 41 G C -1.418 173.252 174.900 -0.384 0.000 1.465 41 G CA -1.070 43.930 45.100 -0.168 0.000 0.996 41 G HN 0.669 nan 8.290 nan 0.000 0.655 42 L N 1.462 122.368 121.223 -0.529 0.000 2.476 42 L HA 0.311 4.652 4.340 0.001 0.000 0.264 42 L C -1.409 175.249 176.870 -0.355 0.000 1.224 42 L CA -1.391 53.137 54.840 -0.519 0.000 0.821 42 L CB 0.453 42.278 42.059 -0.391 0.000 1.101 42 L HN 0.348 nan 8.230 nan 0.000 0.488 43 P HA 0.050 nan 4.420 nan 0.000 0.272 43 P C -0.140 177.194 177.300 0.056 0.000 1.230 43 P CA 0.099 63.095 63.100 -0.174 0.000 0.788 43 P CB 0.842 32.366 31.700 -0.293 0.000 0.949 44 A N 1.046 123.946 122.820 0.134 0.000 2.925 44 A HA -0.217 4.104 4.320 0.001 0.000 0.265 44 A C 1.001 178.580 177.584 -0.008 0.000 1.419 44 A CA 0.894 52.961 52.037 0.050 0.000 0.807 44 A CB -2.481 16.573 19.000 0.090 0.000 1.043 44 A HN 0.487 nan 8.150 nan 0.000 0.600 45 R N -0.902 119.590 120.500 -0.013 0.000 2.432 45 R HA 0.431 4.772 4.340 0.001 0.000 0.260 45 R C 1.617 177.918 176.300 0.003 0.000 0.935 45 R CA 1.428 57.516 56.100 -0.019 0.000 1.080 45 R CB 0.193 30.475 30.300 -0.030 0.000 1.155 45 R HN 1.823 nan 8.270 nan 0.000 0.531 46 G N 0.597 109.412 108.800 0.026 0.000 2.132 46 G HA2 -0.345 3.616 3.960 0.001 0.000 0.234 46 G HA3 -0.345 3.616 3.960 0.001 0.000 0.234 46 G C 0.833 175.830 174.900 0.161 0.000 0.989 46 G CA 0.554 45.705 45.100 0.086 0.000 0.676 46 G HN 0.359 nan 8.290 nan 0.000 0.522 47 K N -0.541 119.918 120.400 0.099 0.000 2.026 47 K HA -0.067 4.253 4.320 0.001 0.000 0.208 47 K C 2.545 179.191 176.600 0.077 0.000 1.048 47 K CA 1.815 58.151 56.287 0.083 0.000 0.929 47 K CB -0.300 32.217 32.500 0.029 0.000 0.713 47 K HN 0.334 nan 8.250 nan 0.000 0.439 48 T N 0.423 115.008 114.554 0.051 0.000 2.821 48 T HA -0.158 4.193 4.350 0.001 0.000 0.267 48 T C 1.534 176.192 174.700 -0.070 0.000 1.046 48 T CA 1.024 63.076 62.100 -0.081 0.000 1.139 48 T CB -0.300 68.439 68.868 -0.214 0.000 0.871 48 T HN 0.291 nan 8.240 nan 0.000 0.454 49 Y N 1.514 121.850 120.300 0.059 0.000 2.145 49 Y HA -0.087 4.464 4.550 0.002 0.000 0.286 49 Y C 1.977 177.934 175.900 0.095 0.000 1.145 49 Y CA 1.181 59.395 58.100 0.190 0.000 1.148 49 Y CB -0.349 38.260 38.460 0.247 0.000 0.981 49 Y HN 0.147 nan 8.280 nan 0.000 0.507 50 I N -0.602 120.138 120.570 0.284 0.000 2.252 50 I HA -0.320 3.850 4.170 0.001 0.000 0.245 50 I C 2.434 178.604 176.117 0.089 0.000 1.102 50 I CA 1.435 62.853 61.300 0.197 0.000 1.385 50 I CB -0.545 37.597 38.000 0.236 0.000 1.064 50 I HN 0.167 nan 8.210 nan 0.000 0.414 51 S N 0.774 116.505 115.700 0.053 0.000 2.353 51 S HA -0.220 4.250 4.470 0.001 0.000 0.222 51 S C 1.980 176.558 174.600 -0.036 0.000 1.035 51 S CA 1.467 59.678 58.200 0.017 0.000 1.025 51 S CB -0.254 62.934 63.200 -0.020 0.000 0.902 51 S HN 0.379 nan 8.310 nan 0.000 0.440 52 K N 0.923 121.255 120.400 -0.114 0.000 2.057 52 K HA -0.051 4.270 4.320 0.001 0.000 0.206 52 K C 2.302 178.825 176.600 -0.128 0.000 1.050 52 K CA 1.070 57.266 56.287 -0.152 0.000 0.935 52 K CB -0.113 32.250 32.500 -0.228 0.000 0.715 52 K HN 0.218 nan 8.250 nan 0.000 0.439 53 K N 0.961 121.268 120.400 -0.155 0.000 2.031 53 K HA -0.121 4.200 4.320 0.001 0.000 0.205 53 K C 2.123 178.764 176.600 0.069 0.000 1.049 53 K CA 0.735 56.959 56.287 -0.104 0.000 0.939 53 K CB -0.059 32.318 32.500 -0.206 0.000 0.717 53 K HN -0.031 nan 8.250 nan 0.000 0.438 54 L N 1.254 122.553 121.223 0.126 0.000 2.042 54 L HA -0.148 4.193 4.340 0.001 0.000 0.210 54 L C 1.921 178.828 176.870 0.062 0.000 1.076 54 L CA 1.997 56.913 54.840 0.127 0.000 0.749 54 L CB -0.819 41.347 42.059 0.178 0.000 0.893 54 L HN 0.183 nan 8.230 nan 0.000 0.432 55 T N -0.632 113.944 114.554 0.036 0.000 2.788 55 T HA -0.204 4.147 4.350 0.001 0.000 0.268 55 T C 1.983 176.688 174.700 0.008 0.000 1.044 55 T CA 1.558 63.667 62.100 0.016 0.000 1.139 55 T CB -0.228 68.625 68.868 -0.025 0.000 0.867 55 T HN 0.364 nan 8.240 nan 0.000 0.454 56 R N -0.379 120.111 120.500 -0.016 0.000 2.081 56 R HA -0.125 4.216 4.340 0.001 0.000 0.235 56 R C 2.297 178.638 176.300 0.070 0.000 1.131 56 R CA 1.341 57.416 56.100 -0.040 0.000 0.960 56 R CB -0.439 29.762 30.300 -0.164 0.000 0.856 56 R HN 0.485 nan 8.270 nan 0.000 0.436 57 Y N 0.923 121.197 120.300 -0.044 0.000 2.163 57 Y HA -0.138 4.413 4.550 0.001 0.000 0.288 57 Y C 1.769 177.708 175.900 0.064 0.000 1.136 57 Y CA 1.688 59.806 58.100 0.031 0.000 1.147 57 Y CB -0.269 37.867 38.460 -0.539 0.000 0.987 57 Y HN 0.021 nan 8.280 nan 0.000 0.509 58 L N 0.245 121.429 121.223 -0.065 0.000 2.017 58 L HA -0.267 4.074 4.340 0.001 0.000 0.208 58 L C 2.101 178.926 176.870 -0.075 0.000 1.073 58 L CA 2.069 56.836 54.840 -0.121 0.000 0.745 58 L CB -0.792 41.267 42.059 0.001 0.000 0.894 58 L HN 0.284 nan 8.230 nan 0.000 0.432 59 N N -1.139 117.562 118.700 0.002 0.000 2.120 59 N HA -0.258 4.482 4.740 0.001 0.000 0.188 59 N C 1.608 177.136 175.510 0.029 0.000 1.024 59 N CA 1.429 54.489 53.050 0.016 0.000 0.852 59 N CB -0.236 38.269 38.487 0.030 0.000 1.003 59 N HN 0.328 nan 8.380 nan 0.000 0.424 60 W N 2.492 123.731 121.300 -0.102 0.000 2.358 60 W HA -0.061 4.600 4.660 0.002 0.000 0.303 60 W C 1.672 178.120 176.519 -0.120 0.000 1.208 60 W CA 1.096 58.401 57.345 -0.068 0.000 1.274 60 W CB -0.206 29.286 29.460 0.053 0.000 1.138 60 W HN 0.070 nan 8.180 nan 0.000 0.515 61 I N -1.011 119.445 120.570 -0.190 0.000 3.444 61 I HA 0.342 4.513 4.170 0.001 0.000 0.287 61 I C 1.464 177.438 176.117 -0.239 0.000 1.302 61 I CA 1.058 62.142 61.300 -0.361 0.000 1.368 61 I CB -0.888 36.898 38.000 -0.357 0.000 1.048 61 I HN 0.235 nan 8.210 nan 0.000 0.487 62 G N 1.139 109.840 108.800 -0.166 0.000 2.144 62 G HA2 -0.186 3.775 3.960 0.001 0.000 0.218 62 G HA3 -0.186 3.775 3.960 0.001 0.000 0.218 62 G C -0.016 174.861 174.900 -0.038 0.000 0.988 62 G CA -0.039 45.012 45.100 -0.082 0.000 0.659 62 G HN 0.282 nan 8.290 nan 0.000 0.522 63 V N 3.098 122.986 119.914 -0.043 0.000 2.294 63 V HA 0.389 4.510 4.120 0.001 0.000 0.272 63 V C -1.569 174.534 176.094 0.014 0.000 1.027 63 V CA -1.660 60.633 62.300 -0.012 0.000 0.823 63 V CB 1.419 33.232 31.823 -0.017 0.000 1.030 63 V HN 0.232 nan 8.190 nan 0.000 0.457 64 P HA 0.057 nan 4.420 nan 0.000 0.257 64 P C -0.158 177.242 177.300 0.167 0.000 1.189 64 P CA 0.619 63.768 63.100 0.081 0.000 0.780 64 P CB 0.316 32.044 31.700 0.046 0.000 0.772 65 T N 3.717 118.383 114.554 0.187 0.000 2.900 65 T HA 0.520 4.871 4.350 0.001 0.000 0.295 65 T C -0.558 174.204 174.700 0.103 0.000 1.044 65 T CA -0.634 61.590 62.100 0.206 0.000 0.995 65 T CB 2.290 71.220 68.868 0.104 0.000 1.072 65 T HN 0.301 nan 8.240 nan 0.000 0.473 66 K N 1.690 122.087 120.400 -0.006 0.000 2.501 66 K HA 0.666 4.987 4.320 0.001 0.000 0.252 66 K C -1.480 174.935 176.600 -0.307 0.000 0.934 66 K CA -0.665 55.400 56.287 -0.369 0.000 0.797 66 K CB 1.844 33.719 32.500 -1.041 0.000 1.270 66 K HN 0.367 nan 8.250 nan 0.000 0.431 67 V N 4.391 124.074 119.914 -0.384 0.000 2.465 67 V HA 0.406 4.527 4.120 0.001 0.000 0.279 67 V C -0.817 174.985 176.094 -0.486 0.000 1.045 67 V CA -0.338 61.814 62.300 -0.247 0.000 0.938 67 V CB 0.691 32.405 31.823 -0.181 0.000 0.986 67 V HN 0.565 nan 8.190 nan 0.000 0.467 68 F N 3.282 123.230 119.950 -0.003 0.000 2.359 68 F HA 0.384 4.912 4.527 0.001 0.000 0.369 68 F C 0.333 176.127 175.800 -0.009 0.000 1.084 68 F CA -0.648 57.395 58.000 0.072 0.000 1.096 68 F CB 0.895 39.979 39.000 0.140 0.000 1.335 68 F HN 0.467 nan 8.300 nan 0.000 0.457 69 N N 2.072 120.834 118.700 0.104 0.000 2.437 69 N HA 0.238 4.978 4.740 0.001 0.000 0.243 69 N C 0.816 176.404 175.510 0.130 0.000 1.041 69 N CA -0.183 52.880 53.050 0.022 0.000 0.940 69 N CB 1.131 39.601 38.487 -0.028 0.000 1.133 69 N HN 0.354 nan 8.380 nan 0.000 0.506 70 V N 3.229 123.117 119.914 -0.043 0.000 2.594 70 V HA -0.153 3.967 4.120 0.001 0.000 0.253 70 V C 2.304 178.493 176.094 0.158 0.000 1.069 70 V CA 2.106 64.412 62.300 0.011 0.000 1.082 70 V CB -1.117 30.609 31.823 -0.162 0.000 0.680 70 V HN 0.874 nan 8.190 nan 0.000 0.469 71 G N 0.074 108.933 108.800 0.098 0.000 2.476 71 G HA2 -0.288 3.673 3.960 0.001 0.000 0.218 71 G HA3 -0.288 3.673 3.960 0.001 0.000 0.218 71 G C 1.438 176.401 174.900 0.105 0.000 1.164 71 G CA 1.079 46.245 45.100 0.111 0.000 0.768 71 G HN 0.593 nan 8.290 nan 0.000 0.560 72 E N -0.575 119.678 120.200 0.088 0.000 2.204 72 E HA -0.093 4.258 4.350 0.001 0.000 0.194 72 E C 2.174 178.778 176.600 0.007 0.000 0.989 72 E CA 0.683 57.090 56.400 0.013 0.000 0.824 72 E CB -0.185 29.481 29.700 -0.058 0.000 0.756 72 E HN 0.620 nan 8.360 nan 0.000 0.477 73 Y N 0.678 120.989 120.300 0.018 0.000 2.200 73 Y HA -0.134 4.416 4.550 0.001 0.000 0.290 73 Y C 2.493 178.413 175.900 0.033 0.000 1.137 73 Y CA 0.996 59.118 58.100 0.036 0.000 1.163 73 Y CB -0.078 38.421 38.460 0.064 0.000 0.988 73 Y HN -0.075 nan 8.280 nan 0.000 0.518 74 R N 1.129 121.747 120.500 0.197 0.000 2.075 74 R HA -0.113 4.227 4.340 0.001 0.000 0.232 74 R C 2.021 178.322 176.300 0.001 0.000 1.126 74 R CA 1.344 57.509 56.100 0.107 0.000 0.963 74 R CB -0.319 30.060 30.300 0.131 0.000 0.858 74 R HN 0.284 nan 8.270 nan 0.000 0.435 75 R N 0.119 120.617 120.500 -0.003 0.000 2.193 75 R HA -0.134 4.207 4.340 0.001 0.000 0.229 75 R C 1.929 178.203 176.300 -0.042 0.000 1.110 75 R CA 1.407 57.481 56.100 -0.043 0.000 0.988 75 R CB -0.036 30.243 30.300 -0.036 0.000 0.871 75 R HN 0.198 nan 8.270 nan 0.000 0.458 76 E N 0.157 120.339 120.200 -0.031 0.000 2.122 76 E HA 0.005 4.355 4.350 0.001 0.000 0.190 76 E C 1.497 178.089 176.600 -0.015 0.000 0.977 76 E CA 1.144 57.520 56.400 -0.040 0.000 0.820 76 E CB 0.120 29.774 29.700 -0.076 0.000 0.770 76 E HN 0.270 nan 8.360 nan 0.000 0.462 77 A N -0.353 122.474 122.820 0.012 0.000 2.081 77 A HA 0.090 4.411 4.320 0.001 0.000 0.214 77 A C 1.799 179.386 177.584 0.005 0.000 1.158 77 A CA 0.948 53.001 52.037 0.027 0.000 0.724 77 A CB 0.286 19.329 19.000 0.071 0.000 0.826 77 A HN 0.162 nan 8.150 nan 0.000 0.463 78 V N -1.738 118.155 119.914 -0.035 0.000 3.605 78 V HA 0.102 4.223 4.120 0.001 0.000 0.284 78 V C 1.082 177.132 176.094 -0.073 0.000 1.386 78 V CA 0.792 63.050 62.300 -0.069 0.000 1.053 78 V CB -0.031 31.684 31.823 -0.179 0.000 0.857 78 V HN 0.517 nan 8.190 nan 0.000 0.436 79 K N -0.113 120.252 120.400 -0.058 0.000 10.062 79 K HA -0.288 4.033 4.320 0.001 0.000 0.515 79 K C 0.676 177.248 176.600 -0.046 0.000 0.373 79 K CA 2.197 58.457 56.287 -0.046 0.000 1.953 79 K CB -0.896 31.584 32.500 -0.034 0.000 0.729 79 K HN 0.521 nan 8.250 nan 0.000 1.124 80 Q N -0.258 119.510 119.800 -0.053 0.000 2.274 80 Q HA 0.439 4.780 4.340 0.001 0.000 0.268 80 Q C -1.728 174.249 176.000 -0.038 0.000 1.015 80 Q CA -0.743 55.040 55.803 -0.033 0.000 0.775 80 Q CB 1.163 29.887 28.738 -0.023 0.000 1.256 80 Q HN 0.268 nan 8.270 nan 0.000 0.442 81 Y N 2.563 122.765 120.300 -0.163 0.000 2.610 81 Y HA 0.180 4.731 4.550 0.001 0.000 0.332 81 Y C 0.776 176.601 175.900 -0.124 0.000 1.201 81 Y CA 1.587 59.575 58.100 -0.187 0.000 1.465 81 Y CB 0.885 39.217 38.460 -0.212 0.000 1.283 81 Y HN 0.824 nan 8.280 nan 0.000 0.563 82 S N 1.719 117.049 115.700 -0.617 0.000 2.748 82 S HA 0.311 4.782 4.470 0.001 0.000 0.241 82 S C 0.223 174.484 174.600 -0.565 0.000 1.064 82 S CA 0.318 58.267 58.200 -0.418 0.000 0.892 82 S CB -0.240 62.802 63.200 -0.265 0.000 0.810 82 S HN 0.769 nan 8.310 nan 0.000 0.555 83 S N 0.094 115.274 115.700 -0.866 0.000 2.661 83 S HA 0.430 4.901 4.470 0.001 0.000 0.268 83 S C 0.349 174.773 174.600 -0.294 0.000 1.162 83 S CA -0.330 57.587 58.200 -0.473 0.000 0.817 83 S CB -0.059 63.006 63.200 -0.225 0.000 1.141 83 S HN 0.553 nan 8.310 nan 0.000 0.477 84 Y N 0.904 121.324 120.300 0.201 0.000 2.569 84 Y HA 0.117 4.668 4.550 0.001 0.000 0.293 84 Y C 1.588 177.646 175.900 0.263 0.000 1.144 84 Y CA 1.207 59.538 58.100 0.385 0.000 1.321 84 Y CB -0.984 37.639 38.460 0.272 0.000 0.982 84 Y HN 0.570 nan 8.280 nan 0.000 0.558 85 N N 0.625 118.937 118.700 -0.647 0.000 2.205 85 N HA -0.228 4.512 4.740 0.001 0.000 0.186 85 N C 1.548 176.945 175.510 -0.188 0.000 1.015 85 N CA 1.636 54.400 53.050 -0.478 0.000 0.862 85 N CB -0.559 37.651 38.487 -0.463 0.000 0.986 85 N HN 0.541 nan 8.380 nan 0.000 0.429 86 F N 0.713 120.505 119.950 -0.265 0.000 2.202 86 F HA -0.117 4.410 4.527 0.001 0.000 0.301 86 F C 1.344 176.893 175.800 -0.418 0.000 1.082 86 F CA 1.254 59.043 58.000 -0.352 0.000 1.313 86 F CB -0.268 38.462 39.000 -0.450 0.000 1.024 86 F HN -0.098 nan 8.300 nan 0.000 0.495 87 F N 0.397 120.384 119.950 0.062 0.000 2.732 87 F HA 0.233 4.761 4.527 0.001 0.000 0.303 87 F C 1.000 176.722 175.800 -0.130 0.000 1.110 87 F CA -0.256 57.728 58.000 -0.026 0.000 1.355 87 F CB -0.408 38.691 39.000 0.165 0.000 1.081 87 F HN -0.407 nan 8.300 nan 0.000 0.565 88 R N 2.388 122.886 120.500 -0.003 0.000 2.570 88 R HA -0.001 4.340 4.340 0.001 0.000 0.277 88 R C -1.309 174.936 176.300 -0.092 0.000 1.039 88 R CA -0.920 55.173 56.100 -0.013 0.000 1.065 88 R CB -0.003 30.283 30.300 -0.025 0.000 0.964 88 R HN -0.031 nan 8.270 nan 0.000 0.428 89 P HA -0.163 nan 4.420 nan 0.000 0.225 89 P C 0.089 177.340 177.300 -0.081 0.000 1.148 89 P CA 1.190 64.234 63.100 -0.094 0.000 0.779 89 P CB 0.191 31.849 31.700 -0.069 0.000 0.780 90 D N -1.936 118.424 120.400 -0.068 0.000 2.340 90 D HA -0.067 4.574 4.640 0.001 0.000 0.220 90 D C 0.557 176.803 176.300 -0.090 0.000 1.039 90 D CA -0.074 53.888 54.000 -0.064 0.000 0.866 90 D CB -1.302 39.473 40.800 -0.041 0.000 0.913 90 D HN -0.050 nan 8.370 nan 0.000 0.523 91 N N 1.843 120.464 118.700 -0.133 0.000 2.739 91 N HA -0.047 4.693 4.740 0.001 0.000 0.266 91 N C 0.906 176.306 175.510 -0.182 0.000 1.168 91 N CA 0.044 52.986 53.050 -0.181 0.000 1.055 91 N CB 0.314 38.632 38.487 -0.282 0.000 1.393 91 N HN 0.334 nan 8.380 nan 0.000 0.514 92 E N 1.829 121.954 120.200 -0.126 0.000 2.049 92 E HA -0.281 4.069 4.350 0.001 0.000 0.198 92 E C 1.179 177.709 176.600 -0.116 0.000 1.007 92 E CA 1.443 57.781 56.400 -0.103 0.000 0.809 92 E CB 0.091 29.749 29.700 -0.070 0.000 0.749 92 E HN 0.716 nan 8.360 nan 0.000 0.450 93 E N -0.350 119.778 120.200 -0.120 0.000 2.077 93 E HA -0.209 4.142 4.350 0.001 0.000 0.193 93 E C 1.923 178.427 176.600 -0.161 0.000 0.989 93 E CA 1.112 57.448 56.400 -0.107 0.000 0.800 93 E CB -0.192 29.460 29.700 -0.080 0.000 0.746 93 E HN 0.353 nan 8.360 nan 0.000 0.452 94 A N 0.766 123.401 122.820 -0.308 0.000 1.969 94 A HA -0.142 4.179 4.320 0.001 0.000 0.218 94 A C 2.146 179.471 177.584 -0.431 0.000 1.169 94 A CA 1.249 52.931 52.037 -0.590 0.000 0.635 94 A CB -0.342 17.904 19.000 -1.256 0.000 0.810 94 A HN 0.284 nan 8.150 nan 0.000 0.445 95 M N -0.271 119.152 119.600 -0.295 0.000 2.159 95 M HA -0.128 4.353 4.480 0.001 0.000 0.263 95 M C 2.079 178.325 176.300 -0.089 0.000 1.063 95 M CA 1.756 56.953 55.300 -0.172 0.000 1.110 95 M CB -0.997 31.529 32.600 -0.124 0.000 1.374 95 M HN 0.547 nan 8.290 nan 0.000 0.411 96 K N 0.165 120.516 120.400 -0.081 0.000 2.025 96 K HA -0.098 4.223 4.320 0.001 0.000 0.207 96 K C 1.910 178.509 176.600 -0.001 0.000 1.049 96 K CA 1.170 57.438 56.287 -0.031 0.000 0.933 96 K CB 0.083 32.566 32.500 -0.029 0.000 0.714 96 K HN 0.099 nan 8.250 nan 0.000 0.438 97 V N 1.586 121.500 119.914 0.000 0.000 2.287 97 V HA -0.274 3.847 4.120 0.001 0.000 0.248 97 V C 2.421 178.578 176.094 0.106 0.000 1.053 97 V CA 1.946 64.289 62.300 0.072 0.000 1.027 97 V CB -0.531 31.378 31.823 0.143 0.000 0.646 97 V HN 0.360 nan 8.190 nan 0.000 0.447 98 R N -0.094 120.457 120.500 0.086 0.000 2.083 98 R HA -0.225 4.116 4.340 0.001 0.000 0.237 98 R C 2.456 178.819 176.300 0.104 0.000 1.137 98 R CA 2.010 58.189 56.100 0.131 0.000 0.951 98 R CB -0.381 29.980 30.300 0.102 0.000 0.851 98 R HN 0.478 nan 8.270 nan 0.000 0.434 99 K N 0.917 121.357 120.400 0.066 0.000 2.057 99 K HA -0.196 4.125 4.320 0.001 0.000 0.207 99 K C 2.050 178.684 176.600 0.057 0.000 1.049 99 K CA 1.562 57.887 56.287 0.063 0.000 0.931 99 K CB 0.098 32.622 32.500 0.041 0.000 0.714 99 K HN 0.207 nan 8.250 nan 0.000 0.440 100 Q N -0.267 119.566 119.800 0.055 0.000 2.124 100 Q HA -0.175 4.166 4.340 0.001 0.000 0.202 100 Q C 2.325 178.362 176.000 0.062 0.000 0.977 100 Q CA 1.500 57.336 55.803 0.055 0.000 0.850 100 Q CB -0.109 28.665 28.738 0.060 0.000 0.901 100 Q HN 0.426 nan 8.270 nan 0.000 0.429 101 C N 0.112 119.463 119.300 0.085 0.000 2.440 101 C HA -0.045 4.415 4.460 0.001 0.000 0.278 101 C C 2.840 177.808 174.990 -0.037 0.000 1.295 101 C CA 0.616 59.685 59.018 0.085 0.000 1.738 101 C CB -1.058 26.777 27.740 0.158 0.000 1.987 101 C HN 0.621 nan 8.230 nan 0.000 0.492 102 A N 0.625 123.462 122.820 0.029 0.000 1.877 102 A HA -0.093 4.228 4.320 0.001 0.000 0.216 102 A C 2.083 179.675 177.584 0.013 0.000 1.186 102 A CA 1.429 53.523 52.037 0.094 0.000 0.620 102 A CB -0.637 18.474 19.000 0.184 0.000 0.822 102 A HN 0.589 nan 8.150 nan 0.000 0.443 103 L N -0.772 120.436 121.223 -0.025 0.000 2.083 103 L HA -0.186 4.154 4.340 0.001 0.000 0.209 103 L C 3.039 179.854 176.870 -0.092 0.000 1.083 103 L CA 1.011 55.803 54.840 -0.079 0.000 0.752 103 L CB -0.547 41.499 42.059 -0.023 0.000 0.899 103 L HN 0.445 nan 8.230 nan 0.000 0.433 104 A N -0.001 122.783 122.820 -0.060 0.000 1.930 104 A HA -0.082 4.239 4.320 0.001 0.000 0.217 104 A C 2.534 180.046 177.584 -0.120 0.000 1.175 104 A CA 1.513 53.543 52.037 -0.011 0.000 0.627 104 A CB -0.540 18.526 19.000 0.111 0.000 0.815 104 A HN 0.382 nan 8.150 nan 0.000 0.443 105 A N -0.230 122.332 122.820 -0.431 0.000 1.898 105 A HA 0.023 4.344 4.320 0.001 0.000 0.216 105 A C 2.122 179.560 177.584 -0.243 0.000 1.181 105 A CA 1.335 53.058 52.037 -0.523 0.000 0.620 105 A CB -0.544 18.113 19.000 -0.570 0.000 0.819 105 A HN 0.453 nan 8.150 nan 0.000 0.442 106 L N -0.988 120.032 121.223 -0.338 0.000 2.131 106 L HA -0.167 4.174 4.340 0.001 0.000 0.210 106 L C 2.750 179.416 176.870 -0.340 0.000 1.092 106 L CA 1.573 55.991 54.840 -0.704 0.000 0.759 106 L CB -0.435 40.925 42.059 -1.165 0.000 0.903 106 L HN 0.489 nan 8.230 nan 0.000 0.435 107 R N 0.384 120.804 120.500 -0.134 0.000 2.083 107 R HA -0.201 4.140 4.340 0.001 0.000 0.237 107 R C 1.794 178.145 176.300 0.085 0.000 1.137 107 R CA 2.135 58.264 56.100 0.048 0.000 0.951 107 R CB -0.144 30.192 30.300 0.060 0.000 0.851 107 R HN 0.281 nan 8.270 nan 0.000 0.434 108 D N -0.193 120.249 120.400 0.070 0.000 2.178 108 D HA -0.101 4.540 4.640 0.001 0.000 0.202 108 D C 1.931 178.201 176.300 -0.049 0.000 0.974 108 D CA 0.865 54.962 54.000 0.162 0.000 0.841 108 D CB -0.064 40.987 40.800 0.418 0.000 0.953 108 D HN 0.096 nan 8.370 nan 0.000 0.478 109 V N 1.046 120.684 119.914 -0.459 0.000 2.295 109 V HA -0.252 3.869 4.120 0.001 0.000 0.246 109 V C 2.467 178.559 176.094 -0.004 0.000 1.049 109 V CA 1.696 63.607 62.300 -0.648 0.000 1.024 109 V CB -0.398 31.078 31.823 -0.578 0.000 0.648 109 V HN 0.189 nan 8.190 nan 0.000 0.447 110 K N -0.137 120.430 120.400 0.277 0.000 2.063 110 K HA -0.225 4.096 4.320 0.001 0.000 0.208 110 K C 2.421 179.178 176.600 0.262 0.000 1.048 110 K CA 1.958 58.500 56.287 0.426 0.000 0.928 110 K CB -0.337 32.407 32.500 0.407 0.000 0.713 110 K HN 0.409 nan 8.250 nan 0.000 0.442 111 S N -0.572 115.251 115.700 0.204 0.000 2.402 111 S HA -0.159 4.312 4.470 0.001 0.000 0.229 111 S C 1.820 176.544 174.600 0.207 0.000 1.021 111 S CA 0.765 59.075 58.200 0.183 0.000 0.974 111 S CB -0.414 62.894 63.200 0.181 0.000 0.800 111 S HN 0.545 nan 8.310 nan 0.000 0.484 112 Y N 1.842 122.207 120.300 0.110 0.000 2.184 112 Y HA 0.134 4.685 4.550 0.002 0.000 0.290 112 Y C 1.812 177.744 175.900 0.053 0.000 1.129 112 Y CA 1.551 59.732 58.100 0.134 0.000 1.144 112 Y CB -0.417 38.219 38.460 0.295 0.000 0.995 112 Y HN 0.233 nan 8.280 nan 0.000 0.513 113 L N -0.598 120.552 121.223 -0.122 0.000 2.179 113 L HA -0.017 4.323 4.340 0.001 0.000 0.208 113 L C 2.398 179.204 176.870 -0.107 0.000 1.096 113 L CA 1.021 55.677 54.840 -0.307 0.000 0.779 113 L CB -0.620 41.056 42.059 -0.638 0.000 0.922 113 L HN 0.309 nan 8.230 nan 0.000 0.443 114 A N -0.629 122.234 122.820 0.072 0.000 2.169 114 A HA 0.061 4.382 4.320 0.001 0.000 0.210 114 A C 1.922 179.532 177.584 0.044 0.000 1.168 114 A CA 0.337 52.443 52.037 0.113 0.000 0.813 114 A CB 0.186 19.298 19.000 0.186 0.000 0.861 114 A HN 0.277 nan 8.150 nan 0.000 0.481 115 K N -1.045 119.373 120.400 0.029 0.000 2.538 115 K HA 0.157 4.478 4.320 0.001 0.000 0.215 115 K C 0.389 176.993 176.600 0.006 0.000 1.345 115 K CA 0.298 56.599 56.287 0.024 0.000 0.985 115 K CB 0.756 33.287 32.500 0.052 0.000 1.116 115 K HN 0.340 nan 8.250 nan 0.000 0.582 116 E N 0.350 120.536 120.200 -0.025 0.000 2.501 116 E HA 0.122 4.473 4.350 0.001 0.000 0.201 116 E C 0.507 177.039 176.600 -0.114 0.000 1.016 116 E CA 0.207 56.592 56.400 -0.025 0.000 0.920 116 E CB 1.108 30.858 29.700 0.084 0.000 1.023 116 E HN 0.397 nan 8.360 nan 0.000 0.474 117 G N 1.211 109.910 108.800 -0.169 0.000 2.176 117 G HA2 -0.265 3.696 3.960 0.001 0.000 0.253 117 G HA3 -0.265 3.696 3.960 0.001 0.000 0.253 117 G C 0.592 175.311 174.900 -0.301 0.000 0.979 117 G CA -0.234 44.762 45.100 -0.174 0.000 0.641 117 G HN 0.472 nan 8.290 nan 0.000 0.530 118 G N -0.847 107.554 108.800 -0.664 0.000 2.544 118 G HA2 0.486 4.447 3.960 0.001 0.000 0.242 118 G HA3 0.486 4.447 3.960 0.001 0.000 0.242 118 G C 0.529 175.156 174.900 -0.455 0.000 1.247 118 G CA 0.957 45.459 45.100 -0.997 0.000 0.840 118 G HN 0.668 nan 8.290 nan 0.000 0.578 119 Q N -0.321 119.359 119.800 -0.201 0.000 2.404 119 Q HA 0.199 4.540 4.340 0.001 0.000 0.262 119 Q C 0.319 176.289 176.000 -0.049 0.000 0.846 119 Q CA 0.483 56.221 55.803 -0.109 0.000 0.978 119 Q CB 0.505 29.210 28.738 -0.055 0.000 1.156 119 Q HN 0.397 nan 8.270 nan 0.000 0.548 120 I N 1.842 122.455 120.570 0.072 0.000 2.499 120 I HA 0.675 4.846 4.170 0.001 0.000 0.288 120 I C -1.094 175.184 176.117 0.269 0.000 1.048 120 I CA -0.920 60.445 61.300 0.108 0.000 1.062 120 I CB 1.336 39.387 38.000 0.086 0.000 1.238 120 I HN 0.172 nan 8.210 nan 0.000 0.426 121 A N 6.622 129.574 122.820 0.219 0.000 2.318 121 A HA 0.717 5.038 4.320 0.001 0.000 0.317 121 A C -0.650 177.097 177.584 0.271 0.000 1.159 121 A CA -0.513 51.729 52.037 0.342 0.000 0.799 121 A CB 1.276 20.397 19.000 0.201 0.000 1.194 121 A HN 0.407 nan 8.150 nan 0.000 0.479 122 V N 3.334 123.438 119.914 0.316 0.000 2.318 122 V HA 0.207 4.328 4.120 0.001 0.000 0.271 122 V C -0.575 175.712 176.094 0.322 0.000 1.030 122 V CA -0.193 62.253 62.300 0.243 0.000 0.844 122 V CB 0.421 32.330 31.823 0.144 0.000 1.015 122 V HN 0.750 nan 8.190 nan 0.000 0.460 123 F N 4.671 124.683 119.950 0.102 0.000 2.464 123 F HA 0.345 4.873 4.527 0.002 0.000 0.353 123 F C 0.472 176.308 175.800 0.060 0.000 1.191 123 F CA -1.086 56.955 58.000 0.069 0.000 1.147 123 F CB 0.318 39.305 39.000 -0.020 0.000 1.294 123 F HN 0.525 nan 8.300 nan 0.000 0.583 124 D N 5.047 125.344 120.400 -0.172 0.000 2.411 124 D HA 0.577 5.218 4.640 0.001 0.000 0.225 124 D C -0.699 175.432 176.300 -0.280 0.000 1.156 124 D CA 0.169 54.071 54.000 -0.163 0.000 0.874 124 D CB 0.460 41.207 40.800 -0.088 0.000 1.034 124 D HN 0.639 nan 8.370 nan 0.000 0.502 125 A N 2.174 124.850 122.820 -0.239 0.000 2.536 125 A HA 0.499 4.819 4.320 0.001 0.000 0.293 125 A C 1.146 178.683 177.584 -0.080 0.000 1.119 125 A CA -0.028 51.895 52.037 -0.190 0.000 0.654 125 A CB 0.327 19.136 19.000 -0.318 0.000 1.291 125 A HN 0.348 nan 8.150 nan 0.000 0.439 126 T N -1.388 113.137 114.554 -0.049 0.000 2.737 126 T HA -0.070 4.281 4.350 0.001 0.000 0.265 126 T C 0.672 175.403 174.700 0.052 0.000 1.038 126 T CA 1.303 63.365 62.100 -0.063 0.000 1.144 126 T CB -0.591 68.200 68.868 -0.128 0.000 0.866 126 T HN 0.977 nan 8.240 nan 0.000 0.434 127 N N 2.111 120.892 118.700 0.134 0.000 2.702 127 N HA -0.156 4.585 4.740 0.001 0.000 0.255 127 N C 0.789 176.430 175.510 0.219 0.000 0.983 127 N CA 1.189 54.367 53.050 0.212 0.000 0.768 127 N CB -1.539 37.110 38.487 0.270 0.000 0.918 127 N HN 0.897 nan 8.380 nan 0.000 0.540 128 T N -4.238 110.443 114.554 0.211 0.000 3.113 128 T HA 0.009 4.360 4.350 0.001 0.000 0.256 128 T C 1.078 175.964 174.700 0.310 0.000 1.131 128 T CA 0.817 63.086 62.100 0.281 0.000 1.074 128 T CB 0.104 69.100 68.868 0.214 0.000 0.944 128 T HN 0.439 nan 8.240 nan 0.000 0.516 129 T N -1.101 113.587 114.554 0.224 0.000 2.918 129 T HA 0.529 4.880 4.350 0.001 0.000 0.286 129 T C 0.889 175.672 174.700 0.139 0.000 1.026 129 T CA -1.173 61.027 62.100 0.168 0.000 1.031 129 T CB 2.261 71.212 68.868 0.138 0.000 1.046 129 T HN 0.011 nan 8.240 nan 0.000 0.479 130 R N 0.383 120.938 120.500 0.092 0.000 2.096 130 R HA -0.081 4.260 4.340 0.001 0.000 0.235 130 R C 2.387 178.758 176.300 0.119 0.000 1.127 130 R CA 1.250 57.394 56.100 0.073 0.000 0.968 130 R CB -0.189 30.125 30.300 0.022 0.000 0.861 130 R HN 0.799 nan 8.270 nan 0.000 0.440 131 E N 1.371 121.634 120.200 0.106 0.000 2.051 131 E HA -0.248 4.103 4.350 0.001 0.000 0.192 131 E C 1.939 178.642 176.600 0.173 0.000 0.991 131 E CA 1.395 57.871 56.400 0.127 0.000 0.799 131 E CB 0.037 29.787 29.700 0.084 0.000 0.748 131 E HN 0.026 nan 8.360 nan 0.000 0.449 132 R N 1.008 121.607 120.500 0.165 0.000 2.075 132 R HA -0.007 4.334 4.340 0.001 0.000 0.232 132 R C 2.481 178.911 176.300 0.216 0.000 1.126 132 R CA 1.742 57.951 56.100 0.180 0.000 0.963 132 R CB -0.432 29.983 30.300 0.192 0.000 0.858 132 R HN 0.124 nan 8.270 nan 0.000 0.435 133 R N -1.229 119.417 120.500 0.243 0.000 2.096 133 R HA -0.142 4.199 4.340 0.001 0.000 0.235 133 R C 2.252 178.725 176.300 0.288 0.000 1.127 133 R CA 1.633 57.919 56.100 0.311 0.000 0.968 133 R CB -0.654 29.800 30.300 0.257 0.000 0.861 133 R HN 0.420 nan 8.270 nan 0.000 0.440 134 H N 1.090 120.249 119.070 0.148 0.000 2.387 134 H HA -0.108 4.449 4.556 0.001 0.000 0.299 134 H C 2.093 177.518 175.328 0.161 0.000 1.099 134 H CA 2.044 58.172 56.048 0.134 0.000 1.315 134 H CB -0.083 29.728 29.762 0.083 0.000 1.380 134 H HN 0.081 nan 8.280 nan 0.000 0.513 135 M N -0.473 119.178 119.600 0.085 0.000 2.117 135 M HA -0.122 4.359 4.480 0.001 0.000 0.262 135 M C 1.762 178.110 176.300 0.080 0.000 1.065 135 M CA 1.817 57.141 55.300 0.040 0.000 1.114 135 M CB -0.055 32.588 32.600 0.071 0.000 1.361 135 M HN 0.383 nan 8.290 nan 0.000 0.408 136 I N 0.076 120.699 120.570 0.088 0.000 2.315 136 I HA -0.269 3.902 4.170 0.001 0.000 0.248 136 I C 2.161 178.373 176.117 0.159 0.000 1.117 136 I CA 0.564 61.896 61.300 0.055 0.000 1.404 136 I CB -0.447 37.557 38.000 0.006 0.000 1.071 136 I HN 0.317 nan 8.210 nan 0.000 0.419 137 L N 0.545 121.871 121.223 0.172 0.000 2.046 137 L HA -0.263 4.077 4.340 0.001 0.000 0.208 137 L C 2.595 179.503 176.870 0.063 0.000 1.077 137 L CA 2.012 56.949 54.840 0.161 0.000 0.747 137 L CB -1.127 41.042 42.059 0.184 0.000 0.896 137 L HN 0.297 nan 8.230 nan 0.000 0.432 138 H N -1.719 117.300 119.070 -0.085 0.000 2.321 138 H HA -0.263 4.294 4.556 0.001 0.000 0.300 138 H C 2.091 177.403 175.328 -0.026 0.000 1.087 138 H CA 2.124 58.110 56.048 -0.104 0.000 1.319 138 H CB -0.368 29.296 29.762 -0.164 0.000 1.379 138 H HN 0.301 nan 8.280 nan 0.000 0.501 139 F N 0.886 120.787 119.950 -0.083 0.000 2.126 139 F HA -0.191 4.337 4.527 0.002 0.000 0.299 139 F C 2.413 178.104 175.800 -0.182 0.000 1.096 139 F CA 1.710 59.630 58.000 -0.133 0.000 1.255 139 F CB -0.841 38.101 39.000 -0.097 0.000 0.997 139 F HN 0.284 nan 8.300 nan 0.000 0.479 140 A N 0.282 123.058 122.820 -0.072 0.000 1.873 140 A HA -0.206 4.115 4.320 0.001 0.000 0.215 140 A C 2.162 179.576 177.584 -0.282 0.000 1.186 140 A CA 1.903 53.864 52.037 -0.126 0.000 0.616 140 A CB -0.891 18.167 19.000 0.097 0.000 0.823 140 A HN 0.420 nan 8.150 nan 0.000 0.442 141 K N 0.890 121.157 120.400 -0.221 0.000 2.020 141 K HA -0.232 4.089 4.320 0.001 0.000 0.212 141 K C 1.967 178.359 176.600 -0.346 0.000 1.050 141 K CA 2.254 58.402 56.287 -0.232 0.000 0.929 141 K CB -0.415 31.969 32.500 -0.193 0.000 0.714 141 K HN 0.727 nan 8.250 nan 0.000 0.443 142 E N -0.808 119.108 120.200 -0.474 0.000 2.268 142 E HA -0.169 4.182 4.350 0.001 0.000 0.195 142 E C 0.905 177.195 176.600 -0.518 0.000 0.995 142 E CA 1.139 57.265 56.400 -0.458 0.000 0.836 142 E CB -0.167 29.248 29.700 -0.476 0.000 0.763 142 E HN 0.300 nan 8.360 nan 0.000 0.491 143 N N 0.773 119.011 118.700 -0.770 0.000 2.236 143 N HA -0.001 4.739 4.740 0.001 0.000 0.196 143 N C -0.695 174.217 175.510 -0.997 0.000 1.114 143 N CA 0.576 52.984 53.050 -1.069 0.000 0.859 143 N CB 0.489 37.850 38.487 -1.877 0.000 0.982 143 N HN 0.122 nan 8.380 nan 0.000 0.493 144 D N -0.194 119.856 120.400 -0.584 0.000 2.775 144 D HA -0.149 4.492 4.640 0.001 0.000 0.235 144 D C -1.076 175.176 176.300 -0.080 0.000 1.120 144 D CA 0.636 54.467 54.000 -0.282 0.000 0.708 144 D CB -1.468 39.214 40.800 -0.197 0.000 1.084 144 D HN 0.299 nan 8.370 nan 0.000 0.434 145 F N 0.158 120.021 119.950 -0.144 0.000 2.458 145 F HA 0.429 4.957 4.527 0.001 0.000 0.330 145 F C 1.349 177.117 175.800 -0.052 0.000 1.082 145 F CA -1.315 56.624 58.000 -0.101 0.000 0.995 145 F CB 1.314 40.237 39.000 -0.129 0.000 1.170 145 F HN -0.406 nan 8.300 nan 0.000 0.478 146 K N 1.429 121.937 120.400 0.180 0.000 2.107 146 K HA 0.705 5.025 4.320 0.001 0.000 0.251 146 K C -0.739 175.937 176.600 0.127 0.000 1.012 146 K CA -0.659 55.703 56.287 0.125 0.000 0.920 146 K CB 1.378 33.933 32.500 0.092 0.000 1.033 146 K HN 0.666 nan 8.250 nan 0.000 0.478 147 A N 1.920 124.823 122.820 0.138 0.000 2.374 147 A HA 0.599 4.919 4.320 0.001 0.000 0.305 147 A C -1.743 175.939 177.584 0.163 0.000 1.053 147 A CA -0.567 51.515 52.037 0.076 0.000 0.726 147 A CB 0.579 19.615 19.000 0.061 0.000 1.229 147 A HN 0.586 nan 8.150 nan 0.000 0.431 148 F N 2.328 122.207 119.950 -0.119 0.000 2.547 148 F HA 0.788 5.316 4.527 0.001 0.000 0.316 148 F C -1.744 173.998 175.800 -0.096 0.000 1.121 148 F CA -1.462 56.548 58.000 0.017 0.000 0.911 148 F CB 1.305 40.336 39.000 0.051 0.000 1.179 148 F HN 0.456 nan 8.300 nan 0.000 0.443 149 F N 6.454 126.078 119.950 -0.543 0.000 2.443 149 F HA 0.601 5.129 4.527 0.001 0.000 0.335 149 F C -0.253 175.274 175.800 -0.454 0.000 1.104 149 F CA -0.840 56.964 58.000 -0.327 0.000 1.013 149 F CB 1.474 40.384 39.000 -0.150 0.000 1.136 149 F HN 0.193 nan 8.300 nan 0.000 0.470 150 I N 2.510 123.088 120.570 0.013 0.000 2.411 150 I HA 0.276 4.447 4.170 0.001 0.000 0.284 150 I C -0.663 175.530 176.117 0.128 0.000 1.012 150 I CA -0.463 60.875 61.300 0.064 0.000 1.119 150 I CB 1.702 39.796 38.000 0.156 0.000 1.261 150 I HN 0.606 nan 8.210 nan 0.000 0.448 151 E N 5.081 125.354 120.200 0.122 0.000 2.158 151 E HA 0.374 4.725 4.350 0.001 0.000 0.271 151 E C -1.100 175.569 176.600 0.115 0.000 0.911 151 E CA -0.446 56.032 56.400 0.130 0.000 0.767 151 E CB 1.739 31.518 29.700 0.132 0.000 1.120 151 E HN 0.488 nan 8.360 nan 0.000 0.405 152 S N 3.842 119.602 115.700 0.100 0.000 2.429 152 S HA 0.386 4.856 4.470 0.001 0.000 0.302 152 S C -0.905 173.735 174.600 0.066 0.000 1.115 152 S CA -0.595 57.648 58.200 0.072 0.000 1.095 152 S CB 0.768 64.005 63.200 0.061 0.000 0.987 152 S HN 0.347 nan 8.310 nan 0.000 0.474 153 V N 5.183 125.128 119.914 0.052 0.000 2.417 153 V HA 0.589 4.710 4.120 0.001 0.000 0.291 153 V C -0.277 175.829 176.094 0.020 0.000 1.024 153 V CA -0.701 61.638 62.300 0.065 0.000 0.861 153 V CB 1.024 32.886 31.823 0.065 0.000 0.985 153 V HN 0.985 nan 8.190 nan 0.000 0.436 154 C N 4.388 123.703 119.300 0.024 0.000 2.620 154 C HA 0.483 4.944 4.460 0.001 0.000 0.356 154 C C -0.241 174.754 174.990 0.009 0.000 1.082 154 C CA -0.547 58.471 59.018 -0.001 0.000 1.293 154 C CB 0.798 28.526 27.740 -0.019 0.000 1.836 154 C HN 0.916 nan 8.230 nan 0.000 0.453 155 D N 3.007 123.411 120.400 0.007 0.000 2.643 155 D HA 0.159 4.799 4.640 0.001 0.000 0.244 155 D C -0.329 175.971 176.300 -0.001 0.000 1.257 155 D CA 0.286 54.294 54.000 0.012 0.000 0.831 155 D CB 0.450 41.262 40.800 0.020 0.000 1.043 155 D HN 0.675 nan 8.370 nan 0.000 0.488 156 D N 1.780 122.173 120.400 -0.011 0.000 2.427 156 D HA 0.106 4.746 4.640 0.001 0.000 0.226 156 D C -1.377 174.911 176.300 -0.018 0.000 1.076 156 D CA -2.049 51.941 54.000 -0.017 0.000 0.849 156 D CB 2.433 43.218 40.800 -0.025 0.000 1.052 156 D HN -0.086 nan 8.370 nan 0.000 0.515 157 P HA -0.156 nan 4.420 nan 0.000 0.217 157 P C 1.276 178.561 177.300 -0.025 0.000 1.148 157 P CA 1.018 64.109 63.100 -0.015 0.000 0.828 157 P CB 0.332 32.025 31.700 -0.011 0.000 0.783 158 T N -0.066 114.471 114.554 -0.028 0.000 2.788 158 T HA -0.062 4.289 4.350 0.001 0.000 0.268 158 T C 1.968 176.641 174.700 -0.046 0.000 1.044 158 T CA 1.200 63.278 62.100 -0.035 0.000 1.139 158 T CB -0.697 68.151 68.868 -0.033 0.000 0.867 158 T HN -0.083 nan 8.240 nan 0.000 0.454 159 V N 1.087 120.974 119.914 -0.046 0.000 2.307 159 V HA -0.122 3.999 4.120 0.001 0.000 0.245 159 V C 2.650 178.704 176.094 -0.065 0.000 1.045 159 V CA 1.244 63.508 62.300 -0.059 0.000 1.024 159 V CB -0.693 31.097 31.823 -0.056 0.000 0.651 159 V HN 0.299 nan 8.190 nan 0.000 0.449 160 V N 0.537 120.422 119.914 -0.048 0.000 2.287 160 V HA -0.286 3.835 4.120 0.001 0.000 0.248 160 V C 2.750 178.809 176.094 -0.057 0.000 1.053 160 V CA 2.115 64.390 62.300 -0.042 0.000 1.027 160 V CB -1.280 30.536 31.823 -0.011 0.000 0.646 160 V HN 0.554 nan 8.190 nan 0.000 0.447 161 A N -0.615 122.175 122.820 -0.051 0.000 1.883 161 A HA -0.273 4.048 4.320 0.001 0.000 0.217 161 A C 2.573 180.102 177.584 -0.090 0.000 1.186 161 A CA 2.448 54.448 52.037 -0.061 0.000 0.624 161 A CB -0.930 18.041 19.000 -0.048 0.000 0.822 161 A HN 0.483 nan 8.150 nan 0.000 0.444 162 S N -0.222 115.424 115.700 -0.089 0.000 2.368 162 S HA -0.209 4.262 4.470 0.001 0.000 0.225 162 S C 1.871 176.388 174.600 -0.138 0.000 1.030 162 S CA 1.732 59.870 58.200 -0.105 0.000 0.999 162 S CB -0.714 62.430 63.200 -0.094 0.000 0.844 162 S HN 0.748 nan 8.310 nan 0.000 0.459 163 N N 0.531 119.144 118.700 -0.145 0.000 2.104 163 N HA -0.066 4.675 4.740 0.001 0.000 0.190 163 N C 1.783 177.151 175.510 -0.236 0.000 1.024 163 N CA 1.680 54.621 53.050 -0.180 0.000 0.853 163 N CB -0.284 38.111 38.487 -0.153 0.000 1.008 163 N HN 0.403 nan 8.380 nan 0.000 0.424 164 I N 0.793 121.216 120.570 -0.245 0.000 2.226 164 I HA -0.246 3.924 4.170 0.001 0.000 0.245 164 I C 2.139 178.081 176.117 -0.292 0.000 1.100 164 I CA 0.887 61.975 61.300 -0.353 0.000 1.374 164 I CB -0.131 37.701 38.000 -0.280 0.000 1.057 164 I HN 0.209 nan 8.210 nan 0.000 0.413 165 M N -0.148 119.329 119.600 -0.205 0.000 2.229 165 M HA -0.193 4.287 4.480 0.001 0.000 0.264 165 M C 2.178 178.376 176.300 -0.170 0.000 1.063 165 M CA 1.553 56.752 55.300 -0.169 0.000 1.114 165 M CB -1.162 31.363 32.600 -0.125 0.000 1.387 165 M HN 0.303 nan 8.290 nan 0.000 0.420 166 E N 0.225 120.313 120.200 -0.186 0.000 2.158 166 E HA -0.091 4.260 4.350 0.001 0.000 0.191 166 E C 1.619 178.079 176.600 -0.234 0.000 0.982 166 E CA 1.296 57.581 56.400 -0.192 0.000 0.823 166 E CB 0.476 30.059 29.700 -0.194 0.000 0.766 166 E HN 0.374 nan 8.360 nan 0.000 0.468 167 V N -3.247 116.505 119.914 -0.270 0.000 3.426 167 V HA 0.251 4.372 4.120 0.001 0.000 0.271 167 V C 1.496 177.462 176.094 -0.214 0.000 1.530 167 V CA -0.365 61.762 62.300 -0.288 0.000 1.021 167 V CB 0.560 32.118 31.823 -0.441 0.000 0.824 167 V HN -0.071 nan 8.190 nan 0.000 0.432 168 K N 2.175 122.393 120.400 -0.303 0.000 2.044 168 K HA 0.299 4.620 4.320 0.001 0.000 0.204 168 K C 2.245 178.721 176.600 -0.207 0.000 1.045 168 K CA 1.851 57.929 56.287 -0.348 0.000 0.951 168 K CB -0.534 31.457 32.500 -0.849 0.000 0.738 168 K HN 0.745 nan 8.250 nan 0.000 0.443 169 I N 0.369 120.774 120.570 -0.276 0.000 2.530 169 I HA -0.164 4.007 4.170 0.001 0.000 0.257 169 I C 1.627 177.724 176.117 -0.033 0.000 1.179 169 I CA 1.712 62.886 61.300 -0.211 0.000 1.440 169 I CB -0.498 37.387 38.000 -0.192 0.000 1.087 169 I HN -0.042 nan 8.210 nan 0.000 0.440 170 S N 0.152 115.832 115.700 -0.035 0.000 2.577 170 S HA 0.154 4.625 4.470 0.001 0.000 0.219 170 S C 0.950 175.575 174.600 0.041 0.000 0.962 170 S CA -0.114 58.088 58.200 0.003 0.000 0.921 170 S CB -0.430 62.749 63.200 -0.034 0.000 0.789 170 S HN 0.561 nan 8.310 nan 0.000 0.497 171 S N 2.928 118.678 115.700 0.083 0.000 2.584 171 S HA 0.237 4.708 4.470 0.001 0.000 0.270 171 S C -1.085 173.569 174.600 0.090 0.000 1.346 171 S CA -0.973 57.286 58.200 0.099 0.000 1.018 171 S CB 0.726 64.013 63.200 0.144 0.000 0.899 171 S HN 0.222 nan 8.310 nan 0.000 0.542 172 P HA -0.015 nan 4.420 nan 0.000 0.223 172 P C 0.488 177.774 177.300 -0.023 0.000 1.151 172 P CA 0.767 63.875 63.100 0.014 0.000 0.787 172 P CB -0.008 31.691 31.700 -0.001 0.000 0.788 173 D N -0.643 119.688 120.400 -0.115 0.000 2.218 173 D HA -0.130 4.510 4.640 0.001 0.000 0.204 173 D C 0.863 176.942 176.300 -0.367 0.000 0.976 173 D CA 1.182 54.982 54.000 -0.334 0.000 0.853 173 D CB -0.424 39.894 40.800 -0.803 0.000 0.939 173 D HN 0.371 nan 8.370 nan 0.000 0.481 174 Y N 0.378 120.724 120.300 0.077 0.000 2.708 174 Y HA 0.132 4.683 4.550 0.001 0.000 0.287 174 Y C 1.691 177.637 175.900 0.078 0.000 1.145 174 Y CA -0.472 57.697 58.100 0.115 0.000 1.249 174 Y CB 0.146 38.659 38.460 0.089 0.000 1.152 174 Y HN -0.081 nan 8.280 nan 0.000 0.532 175 K N -0.736 119.743 120.400 0.132 0.000 2.360 175 K HA -0.145 4.176 4.320 0.001 0.000 0.201 175 K C -0.254 176.401 176.600 0.092 0.000 1.046 175 K CA 1.772 58.115 56.287 0.093 0.000 0.940 175 K CB 0.059 32.590 32.500 0.053 0.000 0.748 175 K HN 0.178 nan 8.250 nan 0.000 0.465 176 D N 0.607 121.075 120.400 0.113 0.000 2.772 176 D HA 0.179 4.820 4.640 0.001 0.000 0.272 176 D C -0.795 175.581 176.300 0.127 0.000 1.314 176 D CA -0.244 53.814 54.000 0.097 0.000 0.835 176 D CB 0.330 41.172 40.800 0.071 0.000 1.080 176 D HN 0.149 nan 8.370 nan 0.000 0.482 177 C N 0.620 120.018 119.300 0.163 0.000 2.994 177 C HA 0.436 4.897 4.460 0.001 0.000 0.304 177 C C 0.101 175.157 174.990 0.110 0.000 1.273 177 C CA -1.019 58.101 59.018 0.170 0.000 1.537 177 C CB 1.599 29.517 27.740 0.297 0.000 2.001 177 C HN 0.400 nan 8.230 nan 0.000 0.471 178 N N 0.144 118.890 118.700 0.076 0.000 2.476 178 N HA 0.363 5.104 4.740 0.001 0.000 0.276 178 N C 0.577 176.095 175.510 0.014 0.000 1.204 178 N CA -0.521 52.552 53.050 0.039 0.000 0.974 178 N CB 0.389 38.895 38.487 0.030 0.000 1.204 178 N HN 0.469 nan 8.380 nan 0.000 0.543 179 S N -0.251 115.442 115.700 -0.011 0.000 2.368 179 S HA -0.290 4.181 4.470 0.001 0.000 0.226 179 S C 1.920 176.494 174.600 -0.044 0.000 1.044 179 S CA 1.846 60.020 58.200 -0.044 0.000 1.062 179 S CB -1.021 62.153 63.200 -0.043 0.000 0.931 179 S HN 0.748 nan 8.310 nan 0.000 0.440 180 A N 2.111 124.920 122.820 -0.018 0.000 1.892 180 A HA -0.246 4.075 4.320 0.001 0.000 0.218 180 A C 2.135 179.722 177.584 0.006 0.000 1.188 180 A CA 1.967 53.999 52.037 -0.008 0.000 0.631 180 A CB -0.712 18.291 19.000 0.004 0.000 0.822 180 A HN 0.797 nan 8.150 nan 0.000 0.447 181 E N -0.377 119.841 120.200 0.030 0.000 2.112 181 E HA 0.076 4.427 4.350 0.001 0.000 0.190 181 E C 2.104 178.749 176.600 0.076 0.000 0.979 181 E CA 0.860 57.303 56.400 0.072 0.000 0.814 181 E CB -0.475 29.289 29.700 0.107 0.000 0.762 181 E HN 0.479 nan 8.360 nan 0.000 0.460 182 A N 1.954 124.768 122.820 -0.009 0.000 1.877 182 A HA -0.194 4.127 4.320 0.001 0.000 0.216 182 A C 2.305 179.719 177.584 -0.284 0.000 1.186 182 A CA 2.088 53.952 52.037 -0.288 0.000 0.620 182 A CB -0.613 18.112 19.000 -0.459 0.000 0.822 182 A HN 0.334 nan 8.150 nan 0.000 0.443 183 M N 0.533 120.035 119.600 -0.164 0.000 2.080 183 M HA -0.188 4.292 4.480 0.001 0.000 0.260 183 M C 1.569 177.872 176.300 0.005 0.000 1.068 183 M CA 2.715 57.962 55.300 -0.088 0.000 1.109 183 M CB -0.802 31.755 32.600 -0.072 0.000 1.342 183 M HN 0.475 nan 8.290 nan 0.000 0.405 184 D N -0.472 119.939 120.400 0.017 0.000 2.117 184 D HA -0.229 4.412 4.640 0.001 0.000 0.197 184 D C 1.817 178.157 176.300 0.067 0.000 0.987 184 D CA 1.747 55.768 54.000 0.034 0.000 0.829 184 D CB -0.336 40.488 40.800 0.040 0.000 0.961 184 D HN 0.626 nan 8.370 nan 0.000 0.460 185 D N -1.084 119.414 120.400 0.163 0.000 2.117 185 D HA -0.187 4.453 4.640 0.001 0.000 0.197 185 D C 1.865 178.342 176.300 0.294 0.000 0.987 185 D CA 0.613 54.805 54.000 0.319 0.000 0.829 185 D CB -0.227 40.927 40.800 0.590 0.000 0.961 185 D HN 0.274 nan 8.370 nan 0.000 0.460 186 F N 0.700 120.714 119.950 0.108 0.000 2.186 186 F HA -0.123 4.404 4.527 0.001 0.000 0.299 186 F C 2.409 178.221 175.800 0.020 0.000 1.090 186 F CA 0.816 58.864 58.000 0.081 0.000 1.307 186 F CB -0.061 38.902 39.000 -0.063 0.000 1.019 186 F HN -0.083 nan 8.300 nan 0.000 0.489 187 M N 0.100 119.760 119.600 0.099 0.000 2.159 187 M HA -0.192 4.289 4.480 0.001 0.000 0.263 187 M C 1.986 178.235 176.300 -0.084 0.000 1.063 187 M CA 1.595 56.904 55.300 0.014 0.000 1.110 187 M CB -1.126 31.479 32.600 0.008 0.000 1.374 187 M HN 0.104 nan 8.290 nan 0.000 0.411 188 K N -0.577 119.722 120.400 -0.169 0.000 2.097 188 K HA -0.141 4.180 4.320 0.001 0.000 0.205 188 K C 2.131 178.604 176.600 -0.212 0.000 1.050 188 K CA 1.001 57.075 56.287 -0.356 0.000 0.938 188 K CB -0.205 31.736 32.500 -0.932 0.000 0.718 188 K HN 0.252 nan 8.250 nan 0.000 0.442 189 R N 1.542 121.980 120.500 -0.103 0.000 2.080 189 R HA -0.121 4.219 4.340 0.001 0.000 0.236 189 R C 2.220 178.499 176.300 -0.035 0.000 1.137 189 R CA 1.383 57.478 56.100 -0.008 0.000 0.943 189 R CB -0.305 29.844 30.300 -0.251 0.000 0.846 189 R HN 0.100 nan 8.270 nan 0.000 0.431 190 I N 1.036 121.502 120.570 -0.172 0.000 2.163 190 I HA -0.332 3.839 4.170 0.001 0.000 0.243 190 I C 2.505 178.657 176.117 0.057 0.000 1.085 190 I CA 1.799 63.050 61.300 -0.082 0.000 1.347 190 I CB -0.428 37.525 38.000 -0.079 0.000 1.044 190 I HN 0.397 nan 8.210 nan 0.000 0.408 191 S N -0.014 115.694 115.700 0.014 0.000 2.419 191 S HA -0.227 4.244 4.470 0.001 0.000 0.235 191 S C 2.090 176.728 174.600 0.064 0.000 1.019 191 S CA 1.379 59.596 58.200 0.029 0.000 0.982 191 S CB -1.181 62.008 63.200 -0.019 0.000 0.789 191 S HN 0.499 nan 8.310 nan 0.000 0.490 192 C N 0.433 119.783 119.300 0.084 0.000 2.425 192 C HA 0.019 4.480 4.460 0.001 0.000 0.277 192 C C 2.255 177.231 174.990 -0.024 0.000 1.280 192 C CA 0.521 59.560 59.018 0.036 0.000 1.744 192 C CB -1.706 26.051 27.740 0.028 0.000 1.989 192 C HN 0.703 nan 8.230 nan 0.000 0.491 193 Y N 0.741 121.043 120.300 0.003 0.000 2.490 193 Y HA 0.001 4.552 4.550 0.001 0.000 0.285 193 Y C 2.274 178.196 175.900 0.037 0.000 1.117 193 Y CA 0.672 58.773 58.100 0.002 0.000 1.262 193 Y CB -0.660 37.753 38.460 -0.078 0.000 1.043 193 Y HN 0.407 nan 8.280 nan 0.000 0.553 194 E N 0.275 120.587 120.200 0.187 0.000 2.118 194 E HA -0.239 4.111 4.350 0.001 0.000 0.195 194 E C 2.329 179.026 176.600 0.162 0.000 0.992 194 E CA 1.117 57.621 56.400 0.173 0.000 0.804 194 E CB -0.161 29.609 29.700 0.116 0.000 0.741 194 E HN 0.488 nan 8.360 nan 0.000 0.458 195 A N 1.010 123.897 122.820 0.111 0.000 1.897 195 A HA -0.134 4.186 4.320 0.001 0.000 0.215 195 A C 2.216 179.857 177.584 0.095 0.000 1.181 195 A CA 1.635 53.722 52.037 0.083 0.000 0.620 195 A CB -0.275 18.755 19.000 0.050 0.000 0.821 195 A HN 0.300 nan 8.150 nan 0.000 0.443 196 S N -2.149 113.620 115.700 0.114 0.000 2.575 196 S HA 0.117 4.588 4.470 0.001 0.000 0.215 196 S C 0.388 175.106 174.600 0.197 0.000 0.966 196 S CA -0.372 57.899 58.200 0.118 0.000 0.911 196 S CB -0.459 62.793 63.200 0.086 0.000 0.780 196 S HN 0.400 nan 8.310 nan 0.000 0.514 197 Y N 3.911 124.256 120.300 0.076 0.000 2.605 197 Y HA 0.256 4.807 4.550 0.001 0.000 0.336 197 Y C -0.039 175.890 175.900 0.049 0.000 1.111 197 Y CA -0.940 57.207 58.100 0.079 0.000 1.422 197 Y CB -0.254 38.256 38.460 0.082 0.000 1.193 197 Y HN 0.324 nan 8.280 nan 0.000 0.526 198 Q N 9.373 129.203 119.800 0.050 0.000 2.506 198 Q HA 0.304 4.645 4.340 0.001 0.000 0.242 198 Q C -2.330 173.526 176.000 -0.241 0.000 1.060 198 Q CA -2.216 53.503 55.803 -0.141 0.000 0.826 198 Q CB 1.176 29.902 28.738 -0.018 0.000 1.169 198 Q HN 0.520 nan 8.270 nan 0.000 0.521 199 P HA -0.056 nan 4.420 nan 0.000 0.270 199 P C -0.215 177.002 177.300 -0.139 0.000 1.227 199 P CA -0.076 62.812 63.100 -0.353 0.000 0.788 199 P CB 1.031 32.473 31.700 -0.430 0.000 0.926 200 L N 1.277 122.460 121.223 -0.067 0.000 2.485 200 L HA 0.065 4.406 4.340 0.001 0.000 0.275 200 L C 0.926 177.750 176.870 -0.076 0.000 1.207 200 L CA 0.659 55.450 54.840 -0.083 0.000 0.855 200 L CB -0.283 41.730 42.059 -0.077 0.000 1.114 200 L HN 0.376 nan 8.230 nan 0.000 0.485 201 D N 4.235 124.588 120.400 -0.077 0.000 2.456 201 D HA 0.214 4.855 4.640 0.001 0.000 0.287 201 D C -1.510 174.764 176.300 -0.042 0.000 1.186 201 D CA -1.889 52.077 54.000 -0.056 0.000 0.916 201 D CB 1.074 41.840 40.800 -0.057 0.000 1.029 201 D HN 0.158 nan 8.370 nan 0.000 0.498 202 P HA -0.098 nan 4.420 nan 0.000 0.219 202 P C 0.369 177.668 177.300 -0.000 0.000 1.146 202 P CA 0.838 63.932 63.100 -0.011 0.000 0.808 202 P CB 0.558 32.264 31.700 0.009 0.000 0.779 203 D N -0.562 119.837 120.400 -0.002 0.000 2.349 203 D HA 0.030 4.671 4.640 0.001 0.000 0.224 203 D C 1.323 177.622 176.300 -0.003 0.000 1.029 203 D CA 0.722 54.723 54.000 0.002 0.000 0.879 203 D CB 0.443 41.245 40.800 0.003 0.000 0.906 203 D HN 0.397 nan 8.370 nan 0.000 0.528 204 K N -0.962 119.431 120.400 -0.011 0.000 2.954 204 K HA 0.116 4.437 4.320 0.001 0.000 0.274 204 K C 1.539 178.129 176.600 -0.017 0.000 1.929 204 K CA -0.333 55.946 56.287 -0.012 0.000 1.134 204 K CB -0.408 32.082 32.500 -0.017 0.000 2.612 204 K HN -0.088 nan 8.250 nan 0.000 0.579 205 C N 2.769 122.053 119.300 -0.027 0.000 2.403 205 C HA -0.093 4.368 4.460 0.001 0.000 0.279 205 C C 0.599 175.566 174.990 -0.038 0.000 1.269 205 C CA 1.358 60.357 59.018 -0.032 0.000 1.774 205 C CB -0.844 26.871 27.740 -0.042 0.000 1.993 205 C HN 0.395 nan 8.230 nan 0.000 0.496 206 D N -0.788 119.583 120.400 -0.049 0.000 2.559 206 D HA 0.119 4.760 4.640 0.001 0.000 0.234 206 D C 1.658 177.938 176.300 -0.033 0.000 1.226 206 D CA -0.172 53.789 54.000 -0.066 0.000 0.830 206 D CB -0.223 40.502 40.800 -0.124 0.000 1.028 206 D HN 0.550 nan 8.370 nan 0.000 0.492 207 R N 0.579 121.073 120.500 -0.010 0.000 2.117 207 R HA -0.119 4.222 4.340 0.001 0.000 0.243 207 R C 0.660 176.976 176.300 0.026 0.000 1.143 207 R CA 1.100 57.206 56.100 0.010 0.000 0.968 207 R CB 0.125 30.433 30.300 0.013 0.000 0.863 207 R HN 0.068 nan 8.270 nan 0.000 0.444 208 D N -0.142 120.274 120.400 0.028 0.000 2.339 208 D HA 0.086 4.727 4.640 0.001 0.000 0.217 208 D C 0.214 176.557 176.300 0.071 0.000 1.050 208 D CA 0.327 54.358 54.000 0.051 0.000 0.856 208 D CB 0.266 41.097 40.800 0.052 0.000 0.922 208 D HN 0.131 nan 8.370 nan 0.000 0.518 209 L N 0.733 121.984 121.223 0.047 0.000 2.375 209 L HA 0.236 4.577 4.340 0.001 0.000 0.271 209 L C 0.520 177.471 176.870 0.134 0.000 1.107 209 L CA -0.354 54.534 54.840 0.079 0.000 0.806 209 L CB 1.310 43.315 42.059 -0.090 0.000 1.146 209 L HN -0.284 nan 8.230 nan 0.000 0.447 210 S N 4.099 119.947 115.700 0.247 0.000 2.465 210 S HA 0.609 5.080 4.470 0.001 0.000 0.279 210 S C -0.381 174.315 174.600 0.159 0.000 1.201 210 S CA -0.534 57.851 58.200 0.309 0.000 1.053 210 S CB 0.442 63.926 63.200 0.473 0.000 0.953 210 S HN 0.400 nan 8.310 nan 0.000 0.488 211 L N 1.424 122.671 121.223 0.040 0.000 2.671 211 L HA 0.780 5.121 4.340 0.001 0.000 0.259 211 L C -1.226 175.596 176.870 -0.080 0.000 1.021 211 L CA -0.971 53.706 54.840 -0.271 0.000 0.871 211 L CB 1.610 43.617 42.059 -0.088 0.000 1.472 211 L HN 0.547 nan 8.230 nan 0.000 0.410 212 I N 1.025 121.523 120.570 -0.119 0.000 2.534 212 I HA 0.515 4.686 4.170 0.001 0.000 0.288 212 I C -1.353 174.840 176.117 0.127 0.000 1.077 212 I CA -0.540 60.841 61.300 0.135 0.000 1.051 212 I CB 1.621 39.805 38.000 0.307 0.000 1.234 212 I HN 0.853 nan 8.210 nan 0.000 0.425 213 K N 7.634 128.129 120.400 0.158 0.000 2.367 213 K HA 0.493 4.814 4.320 0.001 0.000 0.263 213 K C -1.646 175.036 176.600 0.137 0.000 1.000 213 K CA -0.558 55.801 56.287 0.120 0.000 0.891 213 K CB 1.495 34.039 32.500 0.075 0.000 1.117 213 K HN 0.503 nan 8.250 nan 0.000 0.443 214 V N 6.803 126.785 119.914 0.113 0.000 2.385 214 V HA 0.318 4.439 4.120 0.001 0.000 0.269 214 V C 0.141 176.159 176.094 -0.126 0.000 1.043 214 V CA -0.494 61.798 62.300 -0.013 0.000 0.906 214 V CB 0.598 32.491 31.823 0.116 0.000 0.995 214 V HN 0.659 nan 8.190 nan 0.000 0.467 215 I N 3.790 124.188 120.570 -0.287 0.000 2.474 215 I HA 0.460 4.631 4.170 0.001 0.000 0.294 215 I C -0.101 175.894 176.117 -0.204 0.000 1.005 215 I CA -0.691 60.497 61.300 -0.187 0.000 1.113 215 I CB 1.699 39.615 38.000 -0.141 0.000 1.289 215 I HN 0.553 nan 8.210 nan 0.000 0.436 216 D N 5.104 125.434 120.400 -0.116 0.000 2.737 216 D HA -0.139 4.502 4.640 0.001 0.000 0.238 216 D C 0.324 176.561 176.300 -0.105 0.000 1.157 216 D CA 0.574 54.517 54.000 -0.094 0.000 0.694 216 D CB -0.868 39.882 40.800 -0.084 0.000 1.021 216 D HN 0.497 nan 8.370 nan 0.000 0.420 217 V N -1.839 118.018 119.914 -0.095 0.000 5.616 217 V HA -0.219 3.901 4.120 0.001 0.000 0.301 217 V C 1.682 177.730 176.094 -0.077 0.000 0.564 217 V CA 2.002 64.258 62.300 -0.072 0.000 0.653 217 V CB -2.029 29.761 31.823 -0.054 0.000 0.372 217 V HN 1.322 nan 8.190 nan 0.000 1.029 218 G N -0.262 108.414 108.800 -0.207 0.000 2.136 218 G HA2 -0.358 3.603 3.960 0.001 0.000 0.242 218 G HA3 -0.358 3.603 3.960 0.001 0.000 0.242 218 G C 0.561 175.287 174.900 -0.291 0.000 0.989 218 G CA 0.935 45.864 45.100 -0.284 0.000 0.682 218 G HN 0.898 nan 8.290 nan 0.000 0.522 219 R N 0.058 120.383 120.500 -0.291 0.000 2.062 219 R HA 0.249 4.590 4.340 0.001 0.000 0.226 219 R C 1.390 177.582 176.300 -0.180 0.000 1.125 219 R CA 1.636 57.648 56.100 -0.146 0.000 0.966 219 R CB 0.018 30.256 30.300 -0.103 0.000 0.861 219 R HN 0.513 nan 8.270 nan 0.000 0.433 220 R N -0.902 119.380 120.500 -0.364 0.000 2.807 220 R HA 0.401 4.742 4.340 0.001 0.000 0.276 220 R C -1.521 174.475 176.300 -0.507 0.000 0.979 220 R CA -0.624 55.335 56.100 -0.235 0.000 0.928 220 R CB 0.989 31.229 30.300 -0.101 0.000 1.191 220 R HN 0.018 nan 8.270 nan 0.000 0.471 221 F N 2.366 122.350 119.950 0.056 0.000 2.578 221 F HA 0.480 5.008 4.527 0.002 0.000 0.311 221 F C -0.790 175.050 175.800 0.066 0.000 1.094 221 F CA -0.765 57.276 58.000 0.068 0.000 0.923 221 F CB 2.065 41.116 39.000 0.085 0.000 1.230 221 F HN 0.203 nan 8.300 nan 0.000 0.450 222 L N 3.627 125.001 121.223 0.252 0.000 2.372 222 L HA 0.790 5.131 4.340 0.001 0.000 0.274 222 L C -1.650 175.329 176.870 0.183 0.000 0.988 222 L CA -0.678 54.262 54.840 0.166 0.000 0.833 222 L CB 1.404 43.523 42.059 0.100 0.000 1.236 222 L HN 0.452 nan 8.230 nan 0.000 0.410 223 V N 4.901 124.917 119.914 0.170 0.000 2.495 223 V HA 0.469 4.590 4.120 0.001 0.000 0.298 223 V C -0.416 175.766 176.094 0.146 0.000 1.031 223 V CA -0.681 61.726 62.300 0.179 0.000 0.871 223 V CB 1.866 33.799 31.823 0.184 0.000 0.988 223 V HN 0.740 nan 8.190 nan 0.000 0.432 224 N N 4.600 123.392 118.700 0.153 0.000 2.346 224 N HA 0.313 5.054 4.740 0.001 0.000 0.289 224 N C -0.077 175.534 175.510 0.168 0.000 1.027 224 N CA -0.772 52.355 53.050 0.129 0.000 0.864 224 N CB 1.645 40.184 38.487 0.087 0.000 1.370 224 N HN 0.824 nan 8.380 nan 0.000 0.481 225 R N 0.929 121.514 120.500 0.142 0.000 2.711 225 R HA -0.126 4.214 4.340 0.001 0.000 0.253 225 R C -1.055 175.358 176.300 0.188 0.000 0.879 225 R CA 0.108 56.295 56.100 0.144 0.000 0.686 225 R CB -2.362 28.011 30.300 0.121 0.000 1.618 225 R HN 0.098 nan 8.270 nan 0.000 0.525 226 V N 3.069 123.087 119.914 0.173 0.000 2.585 226 V HA -0.068 4.053 4.120 0.001 0.000 0.296 226 V C 1.749 177.902 176.094 0.098 0.000 1.035 226 V CA 0.381 62.769 62.300 0.147 0.000 1.084 226 V CB 1.371 33.246 31.823 0.087 0.000 0.953 226 V HN 0.690 nan 8.190 nan 0.000 0.483 227 Q N 2.099 121.947 119.800 0.079 0.000 2.259 227 Q HA 0.093 4.434 4.340 0.001 0.000 0.201 227 Q C 0.015 176.037 176.000 0.038 0.000 0.938 227 Q CA 0.816 56.658 55.803 0.065 0.000 0.872 227 Q CB 0.378 29.163 28.738 0.079 0.000 0.971 227 Q HN 1.025 nan 8.270 nan 0.000 0.494 228 D N -2.286 118.113 120.400 -0.002 0.000 2.798 228 D HA -0.026 4.615 4.640 0.001 0.000 0.308 228 D C 0.743 177.041 176.300 -0.003 0.000 1.187 228 D CA -0.557 53.451 54.000 0.013 0.000 1.033 228 D CB -0.337 40.458 40.800 -0.009 0.000 1.445 228 D HN 0.011 nan 8.370 nan 0.000 0.550 229 H N -0.475 118.589 119.070 -0.010 0.000 2.321 229 H HA -0.063 4.494 4.556 0.001 0.000 0.300 229 H C 1.692 177.014 175.328 -0.011 0.000 1.087 229 H CA 0.995 57.039 56.048 -0.007 0.000 1.319 229 H CB -0.386 29.377 29.762 0.000 0.000 1.379 229 H HN 0.310 nan 8.280 nan 0.000 0.501 230 I N 1.909 122.069 120.570 -0.683 0.000 2.208 230 I HA -0.257 3.914 4.170 0.001 0.000 0.245 230 I C 2.682 178.656 176.117 -0.240 0.000 1.097 230 I CA 1.388 62.445 61.300 -0.406 0.000 1.363 230 I CB -0.508 37.225 38.000 -0.445 0.000 1.051 230 I HN 0.249 nan 8.210 nan 0.000 0.413 231 Q N -0.887 118.732 119.800 -0.301 0.000 2.124 231 Q HA -0.214 4.126 4.340 0.001 0.000 0.202 231 Q C 2.421 178.258 176.000 -0.271 0.000 0.977 231 Q CA 1.821 57.347 55.803 -0.462 0.000 0.850 231 Q CB -0.308 28.111 28.738 -0.531 0.000 0.901 231 Q HN 0.568 nan 8.270 nan 0.000 0.429 232 S N 0.229 115.861 115.700 -0.114 0.000 2.368 232 S HA -0.152 4.319 4.470 0.001 0.000 0.225 232 S C 1.884 176.525 174.600 0.068 0.000 1.030 232 S CA 0.891 59.087 58.200 -0.007 0.000 0.999 232 S CB 0.040 63.255 63.200 0.025 0.000 0.844 232 S HN 0.244 nan 8.310 nan 0.000 0.459 233 R N 0.592 121.147 120.500 0.092 0.000 2.092 233 R HA 0.115 4.455 4.340 0.001 0.000 0.231 233 R C 2.281 178.720 176.300 0.232 0.000 1.119 233 R CA 1.122 57.355 56.100 0.221 0.000 0.970 233 R CB -1.034 29.404 30.300 0.230 0.000 0.864 233 R HN 0.524 nan 8.270 nan 0.000 0.440 234 I N 0.275 120.909 120.570 0.107 0.000 2.202 234 I HA -0.238 3.933 4.170 0.001 0.000 0.242 234 I C 2.325 178.539 176.117 0.162 0.000 1.091 234 I CA 0.994 62.364 61.300 0.117 0.000 1.368 234 I CB -0.253 37.735 38.000 -0.021 0.000 1.058 234 I HN -0.128 nan 8.210 nan 0.000 0.410 235 V N 0.257 120.237 119.914 0.109 0.000 2.295 235 V HA -0.333 3.788 4.120 0.001 0.000 0.246 235 V C 2.303 178.467 176.094 0.116 0.000 1.049 235 V CA 2.027 64.412 62.300 0.141 0.000 1.024 235 V CB -0.821 31.081 31.823 0.131 0.000 0.648 235 V HN 0.408 nan 8.190 nan 0.000 0.447 236 Y N 0.106 120.415 120.300 0.015 0.000 2.128 236 Y HA -0.330 4.221 4.550 0.001 0.000 0.284 236 Y C 2.463 178.357 175.900 -0.011 0.000 1.154 236 Y CA 1.849 59.947 58.100 -0.003 0.000 1.149 236 Y CB -0.911 37.577 38.460 0.048 0.000 0.976 236 Y HN 0.375 nan 8.280 nan 0.000 0.505 237 Y N 0.280 120.461 120.300 -0.198 0.000 2.097 237 Y HA -0.276 4.275 4.550 0.001 0.000 0.282 237 Y C 2.305 178.065 175.900 -0.233 0.000 1.152 237 Y CA 2.275 60.143 58.100 -0.385 0.000 1.136 237 Y CB -0.761 37.412 38.460 -0.479 0.000 0.975 237 Y HN 0.150 nan 8.280 nan 0.000 0.498 238 L N -0.415 120.778 121.223 -0.049 0.000 2.127 238 L HA -0.277 4.064 4.340 0.001 0.000 0.211 238 L C 2.274 179.077 176.870 -0.111 0.000 1.089 238 L CA 1.549 56.372 54.840 -0.028 0.000 0.757 238 L CB -0.536 41.624 42.059 0.168 0.000 0.899 238 L HN 0.349 nan 8.230 nan 0.000 0.434 239 M N -0.995 118.416 119.600 -0.315 0.000 2.618 239 M HA -0.021 4.460 4.480 0.001 0.000 0.240 239 M C 0.937 177.102 176.300 -0.225 0.000 1.123 239 M CA 0.713 55.658 55.300 -0.592 0.000 1.060 239 M CB 0.008 32.143 32.600 -0.776 0.000 1.535 239 M HN 0.248 nan 8.290 nan 0.000 0.507 240 N N 0.661 119.215 118.700 -0.243 0.000 2.171 240 N HA 0.240 4.981 4.740 0.001 0.000 0.212 240 N C 0.178 175.607 175.510 -0.135 0.000 1.184 240 N CA 0.100 53.042 53.050 -0.179 0.000 0.888 240 N CB 1.305 39.608 38.487 -0.305 0.000 1.038 240 N HN 0.376 nan 8.380 nan 0.000 0.517 241 I N -0.640 119.809 120.570 -0.202 0.000 2.677 241 I HA 0.413 4.584 4.170 0.001 0.000 0.305 241 I C 0.149 176.276 176.117 0.017 0.000 0.988 241 I CA -0.543 60.646 61.300 -0.185 0.000 1.260 241 I CB 1.472 39.278 38.000 -0.324 0.000 1.410 241 I HN -0.074 nan 8.210 nan 0.000 0.523 242 H N 2.735 121.818 119.070 0.022 0.000 2.942 242 H HA 0.470 5.027 4.556 0.001 0.000 0.316 242 H C -0.729 174.620 175.328 0.034 0.000 1.323 242 H CA -0.644 55.425 56.048 0.034 0.000 1.144 242 H CB 1.860 31.637 29.762 0.026 0.000 1.866 242 H HN 0.517 nan 8.280 nan 0.000 0.545 243 V N -2.079 117.909 119.914 0.122 0.000 3.276 243 V HA 0.234 4.355 4.120 0.001 0.000 0.319 243 V C 0.088 176.258 176.094 0.127 0.000 1.427 243 V CA -0.406 61.904 62.300 0.017 0.000 1.102 243 V CB 0.006 31.750 31.823 -0.131 0.000 1.020 243 V HN 0.406 nan 8.190 nan 0.000 0.456 244 Q N 3.354 123.389 119.800 0.393 0.000 2.361 244 Q HA 0.344 4.685 4.340 0.001 0.000 0.276 244 Q C -2.266 173.828 176.000 0.156 0.000 1.022 244 Q CA -1.222 54.696 55.803 0.191 0.000 0.898 244 Q CB 0.592 29.363 28.738 0.056 0.000 1.246 244 Q HN 0.403 nan 8.270 nan 0.000 0.410 245 P HA 0.258 nan 4.420 nan 0.000 0.275 245 P C -1.087 176.232 177.300 0.032 0.000 1.227 245 P CA -0.336 62.780 63.100 0.027 0.000 0.781 245 P CB 1.150 32.846 31.700 -0.008 0.000 0.906 246 R N 0.182 120.689 120.500 0.011 0.000 2.835 246 R HA 0.759 5.100 4.340 0.001 0.000 0.271 246 R C -1.334 174.924 176.300 -0.070 0.000 1.013 246 R CA -0.762 55.335 56.100 -0.004 0.000 0.876 246 R CB -0.525 29.800 30.300 0.043 0.000 1.348 246 R HN 0.277 nan 8.270 nan 0.000 0.453 247 T N 0.394 114.883 114.554 -0.107 0.000 2.912 247 T HA 0.637 4.988 4.350 0.001 0.000 0.299 247 T C -0.592 173.908 174.700 -0.334 0.000 1.052 247 T CA -0.634 61.305 62.100 -0.269 0.000 0.996 247 T CB 1.164 69.823 68.868 -0.348 0.000 1.070 247 T HN 0.417 nan 8.240 nan 0.000 0.465 248 I N 2.932 123.227 120.570 -0.458 0.000 2.378 248 I HA 0.437 4.607 4.170 0.001 0.000 0.291 248 I C -1.183 174.662 176.117 -0.453 0.000 0.992 248 I CA -0.914 60.147 61.300 -0.398 0.000 1.154 248 I CB 1.187 38.892 38.000 -0.492 0.000 1.315 248 I HN 0.597 nan 8.210 nan 0.000 0.448 249 Y N 6.363 126.584 120.300 -0.132 0.000 2.352 249 Y HA 0.663 5.213 4.550 0.001 0.000 0.339 249 Y C -0.315 175.549 175.900 -0.060 0.000 0.992 249 Y CA -0.785 57.281 58.100 -0.056 0.000 1.100 249 Y CB 1.474 39.954 38.460 0.033 0.000 1.192 249 Y HN 0.264 nan 8.280 nan 0.000 0.458 250 L N 4.388 125.673 121.223 0.103 0.000 2.386 250 L HA 0.849 5.190 4.340 0.001 0.000 0.271 250 L C -0.689 176.235 176.870 0.089 0.000 0.993 250 L CA -0.804 54.083 54.840 0.078 0.000 0.819 250 L CB 1.814 43.905 42.059 0.053 0.000 1.294 250 L HN 0.884 nan 8.230 nan 0.000 0.414 251 C N 0.576 119.928 119.300 0.087 0.000 3.312 251 C HA 0.643 5.104 4.460 0.001 0.000 0.332 251 C C -0.498 174.509 174.990 0.027 0.000 1.340 251 C CA -1.162 57.899 59.018 0.072 0.000 1.265 251 C CB 2.084 29.923 27.740 0.164 0.000 1.563 251 C HN 0.942 nan 8.230 nan 0.000 0.471 252 R N 0.360 120.813 120.500 -0.078 0.000 2.553 252 R HA 0.574 4.914 4.340 0.001 0.000 0.263 252 R C 0.012 176.190 176.300 -0.203 0.000 1.066 252 R CA -0.341 55.618 56.100 -0.235 0.000 1.135 252 R CB 0.504 30.545 30.300 -0.432 0.000 1.148 252 R HN 0.960 nan 8.270 nan 0.000 0.558 253 H N -1.140 117.899 119.070 -0.052 0.000 2.836 253 H HA 0.214 4.771 4.556 0.001 0.000 0.368 253 H C 0.625 176.029 175.328 0.126 0.000 1.164 253 H CA -0.212 55.850 56.048 0.022 0.000 1.425 253 H CB 0.001 29.709 29.762 -0.092 0.000 1.414 253 H HN 0.695 nan 8.280 nan 0.000 0.614 254 G N 0.485 109.531 108.800 0.410 0.000 2.614 254 G HA2 0.004 3.965 3.960 0.001 0.000 0.239 254 G HA3 0.004 3.965 3.960 0.001 0.000 0.239 254 G C -0.329 174.843 174.900 0.454 0.000 1.240 254 G CA -0.504 44.877 45.100 0.469 0.000 0.842 254 G HN 0.932 nan 8.290 nan 0.000 0.584 255 E N 0.125 120.629 120.200 0.506 0.000 2.568 255 E HA -0.053 4.297 4.350 0.001 0.000 0.262 255 E C 0.330 177.087 176.600 0.262 0.000 0.961 255 E CA 0.171 56.737 56.400 0.277 0.000 0.945 255 E CB 0.204 30.004 29.700 0.166 0.000 0.924 255 E HN 0.601 nan 8.360 nan 0.000 0.467 256 N N 2.406 121.236 118.700 0.216 0.000 2.545 256 N HA 0.093 4.834 4.740 0.001 0.000 0.289 256 N C 0.271 175.858 175.510 0.128 0.000 1.279 256 N CA -0.612 52.517 53.050 0.132 0.000 0.824 256 N CB 0.659 39.161 38.487 0.026 0.000 1.395 256 N HN 0.380 nan 8.380 nan 0.000 0.526 257 E N -0.617 119.653 120.200 0.116 0.000 2.118 257 E HA -0.227 4.123 4.350 0.001 0.000 0.195 257 E C 0.736 177.453 176.600 0.194 0.000 0.992 257 E CA 1.487 57.971 56.400 0.139 0.000 0.804 257 E CB -0.413 29.368 29.700 0.135 0.000 0.741 257 E HN 0.589 nan 8.360 nan 0.000 0.458 258 H N 1.029 120.116 119.070 0.028 0.000 2.423 258 H HA -0.003 4.554 4.556 0.001 0.000 0.297 258 H C 1.888 177.246 175.328 0.049 0.000 1.075 258 H CA 0.992 57.056 56.048 0.026 0.000 1.342 258 H CB -0.080 29.685 29.762 0.006 0.000 1.395 258 H HN 0.124 nan 8.280 nan 0.000 0.530 259 N N 0.369 119.183 118.700 0.190 0.000 2.084 259 N HA -0.121 4.620 4.740 0.001 0.000 0.190 259 N C 2.075 177.646 175.510 0.101 0.000 1.030 259 N CA 0.823 53.962 53.050 0.147 0.000 0.849 259 N CB -0.472 38.104 38.487 0.149 0.000 1.012 259 N HN 0.317 nan 8.380 nan 0.000 0.423 260 L N 1.164 122.442 121.223 0.092 0.000 2.079 260 L HA -0.181 4.160 4.340 0.001 0.000 0.210 260 L C 1.985 178.883 176.870 0.048 0.000 1.081 260 L CA 1.288 56.168 54.840 0.066 0.000 0.752 260 L CB -0.349 41.750 42.059 0.066 0.000 0.896 260 L HN 0.207 nan 8.230 nan 0.000 0.433 261 Q N -0.401 119.418 119.800 0.032 0.000 2.403 261 Q HA 0.081 4.421 4.340 0.001 0.000 0.203 261 Q C 1.196 177.199 176.000 0.004 0.000 0.932 261 Q CA 0.483 56.283 55.803 -0.005 0.000 0.945 261 Q CB 0.447 29.143 28.738 -0.070 0.000 1.045 261 Q HN 0.607 nan 8.270 nan 0.000 0.511 262 G N 2.015 110.843 108.800 0.045 0.000 2.221 262 G HA2 -0.312 3.649 3.960 0.001 0.000 0.265 262 G HA3 -0.312 3.649 3.960 0.001 0.000 0.265 262 G C -0.212 174.718 174.900 0.050 0.000 1.041 262 G CA 0.129 45.285 45.100 0.092 0.000 0.807 262 G HN 0.210 nan 8.290 nan 0.000 0.502 263 R N -0.351 120.130 120.500 -0.032 0.000 2.474 263 R HA 0.664 5.005 4.340 0.001 0.000 0.295 263 R C 1.115 177.396 176.300 -0.033 0.000 0.980 263 R CA -0.581 55.442 56.100 -0.128 0.000 0.934 263 R CB 1.179 31.235 30.300 -0.406 0.000 1.101 263 R HN 0.553 nan 8.270 nan 0.000 0.469 264 I N -0.964 119.536 120.570 -0.116 0.000 2.566 264 I HA 0.678 4.848 4.170 0.001 0.000 0.303 264 I C 0.757 176.862 176.117 -0.019 0.000 0.983 264 I CA -0.139 61.103 61.300 -0.096 0.000 1.235 264 I CB 1.336 39.156 38.000 -0.300 0.000 1.386 264 I HN 0.776 nan 8.210 nan 0.000 0.494 265 G N 3.111 111.893 108.800 -0.030 0.000 2.547 265 G HA2 0.217 4.178 3.960 0.001 0.000 0.271 265 G HA3 0.217 4.178 3.960 0.001 0.000 0.271 265 G C 0.469 175.346 174.900 -0.039 0.000 1.209 265 G CA 0.110 45.169 45.100 -0.068 0.000 0.959 265 G HN 2.602 nan 8.290 nan 0.000 0.563 266 G N -1.241 107.508 108.800 -0.085 0.000 2.796 266 G HA2 0.311 4.272 3.960 0.001 0.000 0.226 266 G HA3 0.311 4.272 3.960 0.001 0.000 0.226 266 G C -0.188 174.555 174.900 -0.261 0.000 1.381 266 G CA 1.023 46.004 45.100 -0.197 0.000 0.867 266 G HN 2.165 nan 8.290 nan 0.000 0.552 267 D N -0.400 119.819 120.400 -0.300 0.000 2.997 267 D HA 0.461 5.101 4.640 0.001 0.000 0.362 267 D C 0.926 177.097 176.300 -0.216 0.000 1.298 267 D CA 0.646 54.526 54.000 -0.200 0.000 0.756 267 D CB -0.220 40.514 40.800 -0.110 0.000 1.216 267 D HN 0.844 nan 8.370 nan 0.000 0.496 268 S N -1.299 114.196 115.700 -0.341 0.000 2.614 268 S HA 0.750 5.221 4.470 0.001 0.000 0.265 268 S C 0.957 175.494 174.600 -0.106 0.000 1.303 268 S CA -0.443 57.626 58.200 -0.219 0.000 1.000 268 S CB 1.672 64.730 63.200 -0.236 0.000 0.935 268 S HN 0.179 nan 8.310 nan 0.000 0.551 269 G N -0.033 108.745 108.800 -0.037 0.000 2.522 269 G HA2 0.519 4.479 3.960 0.001 0.000 0.304 269 G HA3 0.519 4.479 3.960 0.001 0.000 0.304 269 G C -0.352 174.564 174.900 0.025 0.000 1.210 269 G CA -1.268 43.829 45.100 -0.005 0.000 0.960 269 G HN 0.779 nan 8.290 nan 0.000 0.497 270 L N 0.975 122.226 121.223 0.048 0.000 2.456 270 L HA 0.177 4.518 4.340 0.001 0.000 0.272 270 L C 1.433 178.355 176.870 0.087 0.000 1.189 270 L CA -0.401 54.492 54.840 0.088 0.000 0.846 270 L CB 0.772 42.889 42.059 0.097 0.000 1.111 270 L HN 0.691 nan 8.230 nan 0.000 0.475 271 S N 0.656 116.423 115.700 0.112 0.000 2.641 271 S HA 0.105 4.576 4.470 0.001 0.000 0.261 271 S C 1.254 175.911 174.600 0.096 0.000 1.257 271 S CA -0.187 58.073 58.200 0.100 0.000 0.983 271 S CB 1.259 64.528 63.200 0.114 0.000 0.990 271 S HN 0.722 nan 8.310 nan 0.000 0.572 272 S N 0.835 116.584 115.700 0.082 0.000 2.382 272 S HA -0.152 4.319 4.470 0.001 0.000 0.228 272 S C 1.779 176.429 174.600 0.085 0.000 1.027 272 S CA 0.818 59.060 58.200 0.069 0.000 0.991 272 S CB -0.595 62.639 63.200 0.057 0.000 0.823 272 S HN 0.748 nan 8.310 nan 0.000 0.469 273 R N 1.322 121.894 120.500 0.120 0.000 2.073 273 R HA 0.141 4.482 4.340 0.001 0.000 0.229 273 R C 2.820 179.229 176.300 0.182 0.000 1.120 273 R CA 1.093 57.290 56.100 0.162 0.000 0.967 273 R CB -1.156 29.281 30.300 0.229 0.000 0.862 273 R HN 0.543 nan 8.270 nan 0.000 0.436 274 G N 1.671 110.612 108.800 0.235 0.000 2.469 274 G HA2 -0.297 3.663 3.960 0.001 0.000 0.219 274 G HA3 -0.297 3.663 3.960 0.001 0.000 0.219 274 G C 1.170 176.158 174.900 0.147 0.000 1.150 274 G CA 0.853 46.108 45.100 0.259 0.000 0.763 274 G HN 0.264 nan 8.290 nan 0.000 0.561 275 K N 0.321 120.777 120.400 0.093 0.000 2.148 275 K HA -0.017 4.304 4.320 0.001 0.000 0.204 275 K C 2.531 179.125 176.600 -0.010 0.000 1.050 275 K CA 1.015 57.324 56.287 0.036 0.000 0.942 275 K CB -0.103 32.416 32.500 0.031 0.000 0.724 275 K HN 0.237 nan 8.250 nan 0.000 0.446 276 K N 0.225 120.625 120.400 0.000 0.000 2.097 276 K HA -0.134 4.187 4.320 0.001 0.000 0.205 276 K C 1.990 178.535 176.600 -0.093 0.000 1.050 276 K CA 1.177 57.444 56.287 -0.034 0.000 0.938 276 K CB -0.214 32.284 32.500 -0.005 0.000 0.718 276 K HN 0.075 nan 8.250 nan 0.000 0.442 277 F N 2.048 121.822 119.950 -0.294 0.000 2.134 277 F HA -0.182 4.346 4.527 0.001 0.000 0.299 277 F C 2.126 177.783 175.800 -0.238 0.000 1.097 277 F CA 1.233 58.974 58.000 -0.431 0.000 1.264 277 F CB -0.509 37.939 39.000 -0.920 0.000 1.001 277 F HN -0.038 nan 8.300 nan 0.000 0.479 278 A N -0.293 122.287 122.820 -0.400 0.000 1.883 278 A HA -0.189 4.132 4.320 0.001 0.000 0.217 278 A C 2.401 179.772 177.584 -0.355 0.000 1.186 278 A CA 2.187 53.974 52.037 -0.417 0.000 0.624 278 A CB -1.351 17.554 19.000 -0.158 0.000 0.822 278 A HN 0.457 nan 8.150 nan 0.000 0.444 279 S N -0.244 115.316 115.700 -0.233 0.000 2.368 279 S HA -0.025 4.446 4.470 0.001 0.000 0.225 279 S C 2.299 176.781 174.600 -0.196 0.000 1.030 279 S CA 1.172 59.270 58.200 -0.169 0.000 0.999 279 S CB -0.469 62.667 63.200 -0.106 0.000 0.844 279 S HN 0.809 nan 8.310 nan 0.000 0.459 280 A N 1.241 123.915 122.820 -0.244 0.000 1.933 280 A HA -0.022 4.299 4.320 0.001 0.000 0.218 280 A C 2.093 179.528 177.584 -0.249 0.000 1.175 280 A CA 1.207 53.119 52.037 -0.209 0.000 0.628 280 A CB -0.633 18.254 19.000 -0.188 0.000 0.814 280 A HN 0.417 nan 8.150 nan 0.000 0.444 281 L N -0.132 120.793 121.223 -0.497 0.000 2.046 281 L HA -0.103 4.237 4.340 0.001 0.000 0.208 281 L C 2.581 179.342 176.870 -0.182 0.000 1.077 281 L CA 2.527 57.105 54.840 -0.437 0.000 0.747 281 L CB -0.721 40.887 42.059 -0.751 0.000 0.896 281 L HN 0.354 nan 8.230 nan 0.000 0.432 282 S N -0.848 114.734 115.700 -0.198 0.000 2.368 282 S HA -0.268 4.202 4.470 0.001 0.000 0.225 282 S C 2.223 176.768 174.600 -0.091 0.000 1.030 282 S CA 1.715 59.839 58.200 -0.126 0.000 0.999 282 S CB -0.357 62.774 63.200 -0.115 0.000 0.844 282 S HN 0.560 nan 8.310 nan 0.000 0.459 283 K N -0.561 119.793 120.400 -0.077 0.000 2.025 283 K HA -0.117 4.204 4.320 0.001 0.000 0.207 283 K C 1.975 178.555 176.600 -0.032 0.000 1.049 283 K CA 1.583 57.839 56.287 -0.052 0.000 0.933 283 K CB -0.455 32.020 32.500 -0.041 0.000 0.714 283 K HN 0.466 nan 8.250 nan 0.000 0.438 284 F N 1.377 121.241 119.950 -0.144 0.000 2.126 284 F HA -0.223 4.305 4.527 0.001 0.000 0.299 284 F C 1.778 177.482 175.800 -0.159 0.000 1.096 284 F CA 1.350 59.272 58.000 -0.130 0.000 1.255 284 F CB -0.349 38.572 39.000 -0.131 0.000 0.997 284 F HN -0.195 nan 8.300 nan 0.000 0.479 285 V N 0.575 120.368 119.914 -0.201 0.000 2.343 285 V HA -0.318 3.803 4.120 0.001 0.000 0.247 285 V C 2.419 178.323 176.094 -0.317 0.000 1.051 285 V CA 2.276 64.371 62.300 -0.342 0.000 1.036 285 V CB -0.815 30.889 31.823 -0.197 0.000 0.654 285 V HN 0.456 nan 8.190 nan 0.000 0.451 286 E N 0.533 120.608 120.200 -0.209 0.000 2.058 286 E HA -0.300 4.051 4.350 0.001 0.000 0.194 286 E C 2.239 178.729 176.600 -0.183 0.000 0.997 286 E CA 1.768 58.073 56.400 -0.159 0.000 0.801 286 E CB -0.140 29.494 29.700 -0.110 0.000 0.746 286 E HN 0.859 nan 8.360 nan 0.000 0.450 287 E N -0.312 119.753 120.200 -0.225 0.000 2.347 287 E HA -0.189 4.162 4.350 0.001 0.000 0.196 287 E C 1.806 178.247 176.600 -0.265 0.000 1.008 287 E CA 0.464 56.737 56.400 -0.210 0.000 0.852 287 E CB 0.008 29.604 29.700 -0.174 0.000 0.783 287 E HN 0.231 nan 8.360 nan 0.000 0.505 288 Q N 1.022 120.584 119.800 -0.396 0.000 2.369 288 Q HA -0.066 4.275 4.340 0.001 0.000 0.206 288 Q C 0.362 176.257 176.000 -0.175 0.000 0.963 288 Q CA 0.409 56.011 55.803 -0.336 0.000 0.894 288 Q CB -0.342 28.122 28.738 -0.457 0.000 0.965 288 Q HN 0.369 nan 8.270 nan 0.000 0.475 289 N N 0.441 119.044 118.700 -0.161 0.000 2.708 289 N HA -0.184 4.557 4.740 0.001 0.000 0.255 289 N C -1.290 174.176 175.510 -0.073 0.000 1.046 289 N CA 0.348 53.337 53.050 -0.101 0.000 0.715 289 N CB -1.162 37.277 38.487 -0.080 0.000 0.895 289 N HN 0.211 nan 8.380 nan 0.000 0.545 290 L N 1.209 122.387 121.223 -0.076 0.000 2.276 290 L HA 0.192 4.533 4.340 0.001 0.000 0.286 290 L C 1.645 178.495 176.870 -0.033 0.000 1.061 290 L CA -0.689 54.127 54.840 -0.040 0.000 0.807 290 L CB 1.362 43.404 42.059 -0.028 0.000 1.177 290 L HN 0.125 nan 8.230 nan 0.000 0.429 291 K N 2.126 122.514 120.400 -0.021 0.000 2.000 291 K HA -0.125 4.196 4.320 0.001 0.000 0.218 291 K C 0.085 176.677 176.600 -0.013 0.000 1.053 291 K CA 1.793 58.070 56.287 -0.017 0.000 0.946 291 K CB 0.121 32.613 32.500 -0.013 0.000 0.723 291 K HN 0.571 nan 8.250 nan 0.000 0.446 292 D N -1.074 119.322 120.400 -0.006 0.000 2.527 292 D HA 0.403 5.043 4.640 0.001 0.000 0.233 292 D C -1.300 175.002 176.300 0.002 0.000 1.063 292 D CA -0.564 53.437 54.000 0.001 0.000 0.880 292 D CB 1.876 42.681 40.800 0.009 0.000 1.457 292 D HN 0.109 nan 8.370 nan 0.000 0.475 293 L N 0.994 122.220 121.223 0.005 0.000 2.614 293 L HA 0.357 4.697 4.340 0.001 0.000 0.264 293 L C -1.548 175.328 176.870 0.009 0.000 0.940 293 L CA -0.490 54.349 54.840 -0.002 0.000 0.903 293 L CB 1.584 43.626 42.059 -0.028 0.000 1.306 293 L HN 0.158 nan 8.230 nan 0.000 0.410 294 R N 3.268 123.758 120.500 -0.017 0.000 2.404 294 R HA 0.742 5.083 4.340 0.001 0.000 0.291 294 R C -1.171 175.096 176.300 -0.055 0.000 1.025 294 R CA -0.686 55.421 56.100 0.012 0.000 0.991 294 R CB 1.786 32.090 30.300 0.006 0.000 1.053 294 R HN 0.471 nan 8.270 nan 0.000 0.479 295 V N 3.744 123.736 119.914 0.130 0.000 2.487 295 V HA 0.425 4.546 4.120 0.001 0.000 0.298 295 V C -0.872 175.526 176.094 0.507 0.000 1.028 295 V CA -0.854 61.554 62.300 0.181 0.000 0.860 295 V CB 1.737 33.682 31.823 0.204 0.000 0.991 295 V HN 0.561 nan 8.190 nan 0.000 0.427 296 W N 2.659 124.086 121.300 0.211 0.000 2.736 296 W HA 0.788 5.449 4.660 0.002 0.000 0.335 296 W C 0.321 176.963 176.519 0.205 0.000 1.059 296 W CA -0.881 56.627 57.345 0.273 0.000 1.226 296 W CB 1.871 31.408 29.460 0.128 0.000 1.416 296 W HN 0.677 nan 8.180 nan 0.000 0.505 297 T N -1.742 113.113 114.554 0.501 0.000 2.864 297 T HA 0.735 5.086 4.350 0.001 0.000 0.289 297 T C 0.295 175.206 174.700 0.352 0.000 1.082 297 T CA -0.575 61.718 62.100 0.321 0.000 1.009 297 T CB 1.524 70.523 68.868 0.218 0.000 1.234 297 T HN 0.331 nan 8.240 nan 0.000 0.526 298 S N 0.018 115.899 115.700 0.300 0.000 2.623 298 S HA 0.324 4.794 4.470 0.001 0.000 0.278 298 S C 0.661 175.413 174.600 0.254 0.000 1.148 298 S CA -0.800 57.586 58.200 0.311 0.000 1.028 298 S CB 0.281 63.723 63.200 0.403 0.000 1.145 298 S HN 0.803 nan 8.310 nan 0.000 0.523 299 Q N -0.289 119.626 119.800 0.192 0.000 2.220 299 Q HA 0.382 4.722 4.340 0.001 0.000 0.205 299 Q C -0.632 175.434 176.000 0.111 0.000 0.865 299 Q CA -0.109 55.778 55.803 0.139 0.000 0.960 299 Q CB -0.068 28.725 28.738 0.092 0.000 1.097 299 Q HN 0.495 nan 8.270 nan 0.000 0.493 300 L N 0.915 122.223 121.223 0.142 0.000 2.350 300 L HA 0.175 4.516 4.340 0.001 0.000 0.275 300 L C 1.482 178.408 176.870 0.092 0.000 1.099 300 L CA -0.255 54.646 54.840 0.101 0.000 0.808 300 L CB 0.813 42.946 42.059 0.123 0.000 1.149 300 L HN 0.033 nan 8.230 nan 0.000 0.442 301 K N 1.317 121.741 120.400 0.039 0.000 2.077 301 K HA -0.273 4.048 4.320 0.001 0.000 0.213 301 K C 2.054 178.664 176.600 0.017 0.000 1.051 301 K CA 2.374 58.675 56.287 0.025 0.000 0.929 301 K CB -0.026 32.473 32.500 -0.002 0.000 0.715 301 K HN 0.848 nan 8.250 nan 0.000 0.451 302 S N -0.160 115.531 115.700 -0.015 0.000 2.370 302 S HA -0.196 4.275 4.470 0.001 0.000 0.226 302 S C 2.127 176.753 174.600 0.043 0.000 1.033 302 S CA 1.951 60.136 58.200 -0.024 0.000 1.011 302 S CB -1.243 61.830 63.200 -0.212 0.000 0.852 302 S HN 0.609 nan 8.310 nan 0.000 0.457 303 T N 0.538 115.115 114.554 0.038 0.000 2.904 303 T HA 0.156 4.506 4.350 0.001 0.000 0.267 303 T C 1.843 176.535 174.700 -0.013 0.000 1.059 303 T CA 0.980 63.107 62.100 0.045 0.000 1.137 303 T CB -0.763 68.133 68.868 0.046 0.000 0.879 303 T HN 0.462 nan 8.240 nan 0.000 0.467 304 I N 1.153 121.716 120.570 -0.011 0.000 2.286 304 I HA -0.131 4.040 4.170 0.001 0.000 0.245 304 I C 3.056 179.093 176.117 -0.133 0.000 1.104 304 I CA 1.228 62.469 61.300 -0.099 0.000 1.397 304 I CB -0.451 37.579 38.000 0.050 0.000 1.072 304 I HN 0.268 nan 8.210 nan 0.000 0.417 305 Q N 0.225 120.003 119.800 -0.038 0.000 2.124 305 Q HA -0.175 4.165 4.340 0.001 0.000 0.202 305 Q C 2.230 178.198 176.000 -0.052 0.000 0.977 305 Q CA 2.100 57.888 55.803 -0.024 0.000 0.850 305 Q CB -0.266 28.480 28.738 0.012 0.000 0.901 305 Q HN 0.503 nan 8.270 nan 0.000 0.429 306 T N 0.877 115.408 114.554 -0.037 0.000 2.708 306 T HA -0.171 4.179 4.350 0.001 0.000 0.266 306 T C 1.920 176.539 174.700 -0.135 0.000 1.037 306 T CA 1.335 63.409 62.100 -0.044 0.000 1.146 306 T CB -0.320 68.581 68.868 0.054 0.000 0.865 306 T HN 0.404 nan 8.240 nan 0.000 0.435 307 A N 1.508 124.192 122.820 -0.226 0.000 1.972 307 A HA -0.102 4.219 4.320 0.001 0.000 0.219 307 A C 2.289 179.693 177.584 -0.300 0.000 1.169 307 A CA 1.130 52.960 52.037 -0.345 0.000 0.635 307 A CB -0.386 18.192 19.000 -0.704 0.000 0.810 307 A HN 0.307 nan 8.150 nan 0.000 0.446 308 E N 0.040 120.089 120.200 -0.252 0.000 2.118 308 E HA -0.170 4.181 4.350 0.001 0.000 0.195 308 E C 2.219 178.806 176.600 -0.022 0.000 0.992 308 E CA 1.190 57.562 56.400 -0.046 0.000 0.804 308 E CB -0.463 29.241 29.700 0.006 0.000 0.741 308 E HN 0.595 nan 8.360 nan 0.000 0.458 309 A N 0.709 123.490 122.820 -0.065 0.000 2.125 309 A HA -0.094 4.227 4.320 0.001 0.000 0.219 309 A C 2.221 179.766 177.584 -0.066 0.000 1.156 309 A CA 0.678 52.675 52.037 -0.066 0.000 0.671 309 A CB -0.471 18.466 19.000 -0.104 0.000 0.794 309 A HN 0.178 nan 8.150 nan 0.000 0.459 310 L N -2.113 119.073 121.223 -0.061 0.000 2.313 310 L HA 0.014 4.355 4.340 0.001 0.000 0.214 310 L C 0.832 177.698 176.870 -0.007 0.000 1.119 310 L CA 0.406 55.218 54.840 -0.047 0.000 0.809 310 L CB -0.274 41.759 42.059 -0.042 0.000 0.933 310 L HN 0.391 nan 8.230 nan 0.000 0.449 311 R N 0.051 120.568 120.500 0.028 0.000 3.422 311 R HA -0.144 4.197 4.340 0.001 0.000 0.267 311 R C -0.827 175.507 176.300 0.057 0.000 1.074 311 R CA 0.346 56.473 56.100 0.045 0.000 0.718 311 R CB -2.168 28.140 30.300 0.014 0.000 1.157 311 R HN 0.293 nan 8.270 nan 0.000 0.440 312 L N 0.371 121.655 121.223 0.101 0.000 2.388 312 L HA 0.601 4.942 4.340 0.001 0.000 0.264 312 L C -1.888 175.092 176.870 0.184 0.000 0.998 312 L CA -2.391 52.512 54.840 0.106 0.000 0.817 312 L CB 2.046 44.152 42.059 0.078 0.000 1.338 312 L HN -0.160 nan 8.230 nan 0.000 0.414 313 P HA 0.144 nan 4.420 nan 0.000 0.271 313 P C -1.695 175.725 177.300 0.201 0.000 1.216 313 P CA 0.162 63.312 63.100 0.083 0.000 0.776 313 P CB 0.350 32.072 31.700 0.038 0.000 0.881 314 Y N -1.613 118.760 120.300 0.122 0.000 2.609 314 Y HA 0.701 5.251 4.550 0.001 0.000 0.342 314 Y C -0.664 175.359 175.900 0.204 0.000 1.058 314 Y CA -1.540 56.674 58.100 0.190 0.000 1.055 314 Y CB 1.626 40.187 38.460 0.168 0.000 1.292 314 Y HN 0.347 nan 8.280 nan 0.000 0.476 315 E N 1.469 121.962 120.200 0.488 0.000 2.199 315 E HA 0.299 4.650 4.350 0.001 0.000 0.265 315 E C -1.495 175.338 176.600 0.389 0.000 0.882 315 E CA -0.867 55.704 56.400 0.286 0.000 0.759 315 E CB 1.477 31.312 29.700 0.225 0.000 1.148 315 E HN 0.764 nan 8.360 nan 0.000 0.412 316 Q N 3.175 123.106 119.800 0.219 0.000 2.267 316 Q HA 0.227 4.568 4.340 0.001 0.000 0.255 316 Q C -1.256 174.820 176.000 0.126 0.000 0.923 316 Q CA -0.159 55.797 55.803 0.254 0.000 0.925 316 Q CB 1.105 29.951 28.738 0.180 0.000 1.195 316 Q HN 0.382 nan 8.270 nan 0.000 0.417 317 W N 2.157 123.473 121.300 0.028 0.000 2.471 317 W HA 0.328 4.988 4.660 0.001 0.000 0.318 317 W C 0.958 177.490 176.519 0.020 0.000 1.034 317 W CA -0.744 56.586 57.345 -0.025 0.000 1.224 317 W CB 1.123 30.545 29.460 -0.064 0.000 1.335 317 W HN 0.626 nan 8.180 nan 0.000 0.452 318 K N 2.344 122.855 120.400 0.186 0.000 2.209 318 K HA -0.130 4.191 4.320 0.001 0.000 0.204 318 K C 1.840 178.528 176.600 0.146 0.000 1.048 318 K CA 1.556 57.918 56.287 0.125 0.000 0.940 318 K CB 0.112 32.647 32.500 0.058 0.000 0.729 318 K HN 0.569 nan 8.250 nan 0.000 0.451 319 A N 0.723 123.673 122.820 0.216 0.000 2.121 319 A HA -0.055 4.266 4.320 0.001 0.000 0.218 319 A C 1.723 179.402 177.584 0.157 0.000 1.154 319 A CA 0.885 53.033 52.037 0.185 0.000 0.679 319 A CB -0.265 18.886 19.000 0.252 0.000 0.795 319 A HN 0.313 nan 8.150 nan 0.000 0.458 320 L N -0.268 121.075 121.223 0.200 0.000 2.592 320 L HA 0.058 4.399 4.340 0.001 0.000 0.227 320 L C 0.268 177.250 176.870 0.186 0.000 1.127 320 L CA -0.311 54.641 54.840 0.188 0.000 0.884 320 L CB -0.421 41.768 42.059 0.217 0.000 1.065 320 L HN 0.371 nan 8.230 nan 0.000 0.457 321 N N 1.143 119.899 118.700 0.092 0.000 2.454 321 N HA -0.023 4.718 4.740 0.001 0.000 0.254 321 N C 0.266 175.662 175.510 -0.191 0.000 1.228 321 N CA -0.210 52.797 53.050 -0.071 0.000 0.900 321 N CB 0.595 39.044 38.487 -0.064 0.000 1.089 321 N HN 0.061 nan 8.380 nan 0.000 0.449 322 E N 1.938 121.819 120.200 -0.532 0.000 2.438 322 E HA 0.006 4.357 4.350 0.001 0.000 0.261 322 E C -0.195 176.279 176.600 -0.209 0.000 1.103 322 E CA -0.206 55.979 56.400 -0.358 0.000 0.959 322 E CB 0.491 29.923 29.700 -0.447 0.000 0.958 322 E HN 0.356 nan 8.360 nan 0.000 0.447 323 I N 2.550 123.019 120.570 -0.170 0.000 2.919 323 I HA -0.128 4.043 4.170 0.001 0.000 0.303 323 I C 0.086 176.108 176.117 -0.160 0.000 1.221 323 I CA 0.662 61.858 61.300 -0.173 0.000 1.444 323 I CB 0.369 38.232 38.000 -0.228 0.000 1.331 323 I HN 0.492 nan 8.210 nan 0.000 0.572 324 D N 6.917 127.234 120.400 -0.138 0.000 2.339 324 D HA 0.187 4.828 4.640 0.001 0.000 0.241 324 D C 0.404 176.582 176.300 -0.204 0.000 1.183 324 D CA -0.104 53.804 54.000 -0.154 0.000 0.859 324 D CB 1.593 42.327 40.800 -0.110 0.000 1.067 324 D HN 0.654 nan 8.370 nan 0.000 0.484 325 A N 3.450 126.035 122.820 -0.392 0.000 2.276 325 A HA 0.394 4.714 4.320 0.001 0.000 0.212 325 A C 1.483 178.738 177.584 -0.547 0.000 1.230 325 A CA 0.691 52.191 52.037 -0.896 0.000 0.844 325 A CB -0.623 17.689 19.000 -1.145 0.000 0.860 325 A HN 0.853 nan 8.150 nan 0.000 0.486 326 G N -0.294 108.365 108.800 -0.235 0.000 2.660 326 G HA2 -0.397 3.563 3.960 0.001 0.000 0.321 326 G HA3 -0.397 3.563 3.960 0.001 0.000 0.321 326 G C 1.318 176.141 174.900 -0.128 0.000 1.246 326 G CA 2.002 47.027 45.100 -0.125 0.000 1.000 326 G HN 1.530 nan 8.290 nan 0.000 0.550 327 V N -1.956 117.894 119.914 -0.106 0.000 3.510 327 V HA 0.184 4.305 4.120 0.001 0.000 0.270 327 V C 2.168 178.198 176.094 -0.106 0.000 1.201 327 V CA 2.109 64.361 62.300 -0.081 0.000 1.166 327 V CB -0.656 31.134 31.823 -0.055 0.000 0.825 327 V HN 0.896 nan 8.190 nan 0.000 0.484 328 C N 0.075 119.256 119.300 -0.198 0.000 2.906 328 C HA 0.310 4.771 4.460 0.001 0.000 0.274 328 C C 1.041 175.904 174.990 -0.211 0.000 1.257 328 C CA -0.668 58.242 59.018 -0.181 0.000 1.695 328 C CB -1.117 26.508 27.740 -0.191 0.000 1.958 328 C HN 0.528 nan 8.230 nan 0.000 0.619 329 E N 1.825 121.898 120.200 -0.211 0.000 2.442 329 E HA -0.001 4.350 4.350 0.001 0.000 0.262 329 E C 0.597 177.154 176.600 -0.072 0.000 1.004 329 E CA 0.841 57.142 56.400 -0.164 0.000 0.928 329 E CB 0.284 29.905 29.700 -0.131 0.000 0.937 329 E HN 0.379 nan 8.360 nan 0.000 0.446 330 E N -0.761 119.422 120.200 -0.028 0.000 4.155 330 E HA -0.237 4.113 4.350 0.001 0.000 0.367 330 E C -0.145 176.413 176.600 -0.069 0.000 0.631 330 E CA 0.509 56.921 56.400 0.021 0.000 1.351 330 E CB -1.182 28.547 29.700 0.049 0.000 1.759 330 E HN 0.217 nan 8.360 nan 0.000 0.401 331 L N 1.710 122.884 121.223 -0.081 0.000 2.379 331 L HA 0.341 4.681 4.340 0.001 0.000 0.269 331 L C 1.363 178.157 176.870 -0.126 0.000 1.084 331 L CA 0.306 55.103 54.840 -0.073 0.000 0.802 331 L CB 0.999 43.052 42.059 -0.010 0.000 1.175 331 L HN 0.127 nan 8.230 nan 0.000 0.448 332 T N -1.900 112.611 114.554 -0.072 0.000 2.874 332 T HA 0.246 4.597 4.350 0.001 0.000 0.281 332 T C 1.142 175.839 174.700 -0.005 0.000 0.994 332 T CA -0.140 61.934 62.100 -0.045 0.000 1.015 332 T CB 0.308 69.191 68.868 0.026 0.000 1.028 332 T HN 0.366 nan 8.240 nan 0.000 0.523 333 Y N -0.002 120.366 120.300 0.114 0.000 2.333 333 Y HA -0.070 4.480 4.550 0.001 0.000 0.290 333 Y C 2.800 178.793 175.900 0.155 0.000 1.144 333 Y CA 1.510 59.732 58.100 0.203 0.000 1.228 333 Y CB -0.197 38.404 38.460 0.234 0.000 0.985 333 Y HN 0.840 nan 8.280 nan 0.000 0.542 334 E N 1.326 121.652 120.200 0.209 0.000 2.051 334 E HA -0.254 4.097 4.350 0.001 0.000 0.192 334 E C 1.409 178.033 176.600 0.041 0.000 0.991 334 E CA 1.744 58.190 56.400 0.077 0.000 0.799 334 E CB -0.129 29.604 29.700 0.055 0.000 0.748 334 E HN 0.625 nan 8.360 nan 0.000 0.449 335 E N 0.345 120.581 120.200 0.060 0.000 2.204 335 E HA -0.110 4.241 4.350 0.001 0.000 0.194 335 E C 2.309 178.972 176.600 0.106 0.000 0.989 335 E CA 0.956 57.387 56.400 0.051 0.000 0.824 335 E CB -0.064 29.661 29.700 0.041 0.000 0.756 335 E HN 0.400 nan 8.360 nan 0.000 0.477 336 I N 0.765 121.442 120.570 0.177 0.000 2.233 336 I HA -0.231 3.940 4.170 0.001 0.000 0.243 336 I C 2.744 179.022 176.117 0.268 0.000 1.093 336 I CA 0.878 62.370 61.300 0.322 0.000 1.380 336 I CB -0.232 37.997 38.000 0.381 0.000 1.067 336 I HN 0.021 nan 8.210 nan 0.000 0.413 337 R N 0.983 121.520 120.500 0.061 0.000 2.096 337 R HA -0.198 4.143 4.340 0.001 0.000 0.235 337 R C 1.691 177.913 176.300 -0.129 0.000 1.127 337 R CA 1.968 57.881 56.100 -0.312 0.000 0.968 337 R CB -0.138 29.677 30.300 -0.808 0.000 0.861 337 R HN 0.344 nan 8.270 nan 0.000 0.440 338 D N -0.903 119.453 120.400 -0.073 0.000 2.137 338 D HA -0.057 4.583 4.640 0.001 0.000 0.202 338 D C 1.680 177.938 176.300 -0.071 0.000 0.970 338 D CA 1.517 55.477 54.000 -0.065 0.000 0.837 338 D CB -0.190 40.578 40.800 -0.054 0.000 0.981 338 D HN 0.239 nan 8.370 nan 0.000 0.475 339 T N -0.652 113.855 114.554 -0.078 0.000 2.937 339 T HA -0.057 4.294 4.350 0.001 0.000 0.260 339 T C 0.493 174.942 174.700 -0.418 0.000 1.051 339 T CA 0.671 62.612 62.100 -0.265 0.000 1.141 339 T CB -0.031 68.636 68.868 -0.334 0.000 0.879 339 T HN 0.154 nan 8.240 nan 0.000 0.459 340 Y N 1.185 121.525 120.300 0.067 0.000 2.525 340 Y HA 0.288 4.838 4.550 0.001 0.000 0.365 340 Y C -1.740 174.224 175.900 0.107 0.000 0.929 340 Y CA -2.710 55.447 58.100 0.095 0.000 1.196 340 Y CB 0.712 39.254 38.460 0.138 0.000 1.232 340 Y HN 0.087 nan 8.280 nan 0.000 0.613 341 P HA -0.308 nan 4.420 nan 0.000 0.216 341 P C 1.319 178.716 177.300 0.161 0.000 1.157 341 P CA 1.820 64.985 63.100 0.108 0.000 0.880 341 P CB 0.587 32.308 31.700 0.034 0.000 0.791 342 E N -0.429 119.860 120.200 0.148 0.000 2.077 342 E HA -0.191 4.160 4.350 0.001 0.000 0.193 342 E C 2.112 178.801 176.600 0.148 0.000 0.989 342 E CA 0.938 57.417 56.400 0.131 0.000 0.800 342 E CB -0.114 29.654 29.700 0.114 0.000 0.746 342 E HN 0.105 nan 8.360 nan 0.000 0.452 343 E N -0.023 120.298 120.200 0.203 0.000 2.077 343 E HA -0.207 4.144 4.350 0.001 0.000 0.193 343 E C 1.831 178.419 176.600 -0.019 0.000 0.989 343 E CA 0.918 57.421 56.400 0.172 0.000 0.800 343 E CB -0.566 29.269 29.700 0.225 0.000 0.746 343 E HN 0.436 nan 8.360 nan 0.000 0.452 344 Y N 1.419 121.707 120.300 -0.020 0.000 2.097 344 Y HA -0.285 4.266 4.550 0.001 0.000 0.282 344 Y C 2.365 178.196 175.900 -0.115 0.000 1.152 344 Y CA 2.181 60.243 58.100 -0.063 0.000 1.136 344 Y CB -0.352 38.134 38.460 0.042 0.000 0.975 344 Y HN 0.039 nan 8.280 nan 0.000 0.498 345 A N 0.075 122.999 122.820 0.173 0.000 1.902 345 A HA -0.170 4.151 4.320 0.001 0.000 0.217 345 A C 2.277 179.831 177.584 -0.051 0.000 1.181 345 A CA 1.805 53.891 52.037 0.081 0.000 0.623 345 A CB -1.170 17.895 19.000 0.109 0.000 0.818 345 A HN 0.574 nan 8.150 nan 0.000 0.443 346 L N -1.180 120.008 121.223 -0.059 0.000 2.042 346 L HA -0.193 4.148 4.340 0.001 0.000 0.210 346 L C 2.811 179.561 176.870 -0.200 0.000 1.076 346 L CA 1.830 56.643 54.840 -0.045 0.000 0.749 346 L CB -0.391 41.727 42.059 0.098 0.000 0.893 346 L HN 0.445 nan 8.230 nan 0.000 0.432 347 R N 0.092 120.199 120.500 -0.654 0.000 2.115 347 R HA -0.164 4.177 4.340 0.001 0.000 0.230 347 R C 2.106 178.173 176.300 -0.389 0.000 1.111 347 R CA 1.256 56.822 56.100 -0.891 0.000 0.976 347 R CB -0.016 29.418 30.300 -1.444 0.000 0.870 347 R HN 0.381 nan 8.270 nan 0.000 0.445 348 E N 0.089 120.095 120.200 -0.323 0.000 2.204 348 E HA -0.224 4.126 4.350 0.001 0.000 0.194 348 E C 1.868 178.440 176.600 -0.047 0.000 0.989 348 E CA 1.351 57.650 56.400 -0.168 0.000 0.824 348 E CB 0.171 29.775 29.700 -0.160 0.000 0.756 348 E HN 0.588 nan 8.360 nan 0.000 0.477 349 Q N -0.187 119.587 119.800 -0.042 0.000 2.354 349 Q HA -0.024 4.317 4.340 0.001 0.000 0.203 349 Q C 0.329 176.360 176.000 0.052 0.000 0.933 349 Q CA 0.811 56.620 55.803 0.010 0.000 0.901 349 Q CB 0.528 29.274 28.738 0.012 0.000 1.007 349 Q HN -0.131 nan 8.270 nan 0.000 0.495 350 D N 0.315 120.751 120.400 0.060 0.000 2.968 350 D HA 0.150 4.791 4.640 0.001 0.000 0.301 350 D C -0.068 176.309 176.300 0.128 0.000 1.226 350 D CA -0.169 53.915 54.000 0.140 0.000 0.746 350 D CB 0.544 41.452 40.800 0.180 0.000 1.278 350 D HN 0.142 nan 8.370 nan 0.000 0.544 351 K N -0.065 120.364 120.400 0.048 0.000 2.211 351 K HA -0.209 4.112 4.320 0.001 0.000 0.204 351 K C 1.467 178.025 176.600 -0.071 0.000 1.047 351 K CA 1.095 57.339 56.287 -0.073 0.000 0.935 351 K CB 0.089 32.425 32.500 -0.273 0.000 0.728 351 K HN 0.309 nan 8.250 nan 0.000 0.452 352 Y N -0.454 119.735 120.300 -0.185 0.000 2.206 352 Y HA -0.175 4.375 4.550 0.001 0.000 0.292 352 Y C 1.347 177.109 175.900 -0.229 0.000 1.123 352 Y CA 1.512 59.438 58.100 -0.290 0.000 1.142 352 Y CB -0.072 38.113 38.460 -0.458 0.000 1.006 352 Y HN 0.051 nan 8.280 nan 0.000 0.518 353 Y N -1.735 118.613 120.300 0.081 0.000 2.490 353 Y HA -0.066 4.485 4.550 0.001 0.000 0.285 353 Y C 0.531 176.401 175.900 -0.049 0.000 1.117 353 Y CA 0.292 58.382 58.100 -0.017 0.000 1.262 353 Y CB -0.575 37.928 38.460 0.072 0.000 1.043 353 Y HN 0.064 nan 8.280 nan 0.000 0.553 354 Y N 2.946 123.254 120.300 0.013 0.000 2.717 354 Y HA 0.020 4.571 4.550 0.001 0.000 0.330 354 Y C 0.481 176.299 175.900 -0.137 0.000 1.217 354 Y CA -0.465 57.588 58.100 -0.079 0.000 1.506 354 Y CB 0.235 38.609 38.460 -0.142 0.000 1.268 354 Y HN -0.016 nan 8.280 nan 0.000 0.561 355 R N 6.138 126.088 120.500 -0.918 0.000 2.445 355 R HA 0.292 4.633 4.340 0.001 0.000 0.308 355 R C -1.479 174.205 176.300 -1.026 0.000 0.961 355 R CA -0.671 55.015 56.100 -0.690 0.000 0.862 355 R CB 0.661 30.739 30.300 -0.371 0.000 1.144 355 R HN 0.782 nan 8.270 nan 0.000 0.447 356 Y N 4.348 124.365 120.300 -0.472 0.000 2.578 356 Y HA 0.096 4.647 4.550 0.001 0.000 0.339 356 Y C -1.639 174.113 175.900 -0.247 0.000 1.231 356 Y CA -1.320 56.643 58.100 -0.227 0.000 1.461 356 Y CB 0.593 39.020 38.460 -0.054 0.000 1.323 356 Y HN 0.498 nan 8.280 nan 0.000 0.590 357 P HA -0.028 nan 4.420 nan 0.000 0.265 357 P C 0.231 177.512 177.300 -0.031 0.000 1.222 357 P CA 1.167 64.232 63.100 -0.059 0.000 0.767 357 P CB 0.240 31.901 31.700 -0.064 0.000 0.801 358 T N -0.169 114.365 114.554 -0.034 0.000 5.334 358 T HA -0.153 4.197 4.350 0.001 0.000 0.288 358 T C 0.558 175.239 174.700 -0.031 0.000 1.733 358 T CA 0.936 63.023 62.100 -0.021 0.000 2.925 358 T CB -2.217 66.645 68.868 -0.010 0.000 1.649 358 T HN 0.589 nan 8.240 nan 0.000 1.007 359 G N -0.423 108.362 108.800 -0.025 0.000 3.257 359 G HA2 0.729 4.690 3.960 0.001 0.000 0.205 359 G HA3 0.729 4.690 3.960 0.001 0.000 0.205 359 G C -0.960 173.926 174.900 -0.024 0.000 1.234 359 G CA -0.619 44.471 45.100 -0.018 0.000 0.918 359 G HN 0.586 nan 8.290 nan 0.000 0.602 360 E N -1.166 119.039 120.200 0.008 0.000 2.355 360 E HA 0.589 4.940 4.350 0.001 0.000 0.261 360 E C -0.611 175.967 176.600 -0.037 0.000 0.943 360 E CA -0.766 55.608 56.400 -0.044 0.000 0.806 360 E CB 2.172 31.825 29.700 -0.078 0.000 1.286 360 E HN 0.570 nan 8.360 nan 0.000 0.424 361 S N -0.843 114.784 115.700 -0.121 0.000 2.715 361 S HA 0.296 4.767 4.470 0.001 0.000 0.307 361 S C 0.150 174.606 174.600 -0.240 0.000 1.119 361 S CA -0.599 57.516 58.200 -0.142 0.000 0.937 361 S CB 0.369 63.455 63.200 -0.190 0.000 1.150 361 S HN 0.543 nan 8.310 nan 0.000 0.521 362 Y N 0.557 120.617 120.300 -0.399 0.000 2.293 362 Y HA -0.055 4.496 4.550 0.001 0.000 0.291 362 Y C 2.924 178.441 175.900 -0.638 0.000 1.137 362 Y CA 1.786 59.617 58.100 -0.450 0.000 1.202 362 Y CB -0.317 37.865 38.460 -0.463 0.000 0.990 362 Y HN 0.841 nan 8.280 nan 0.000 0.537 363 Q N 0.355 119.668 119.800 -0.812 0.000 2.096 363 Q HA -0.218 4.123 4.340 0.001 0.000 0.204 363 Q C 1.318 177.139 176.000 -0.299 0.000 0.982 363 Q CA 1.981 57.412 55.803 -0.620 0.000 0.850 363 Q CB -0.029 28.433 28.738 -0.460 0.000 0.901 363 Q HN 0.410 nan 8.270 nan 0.000 0.422 364 D N 0.471 120.726 120.400 -0.241 0.000 2.144 364 D HA -0.135 4.505 4.640 0.001 0.000 0.200 364 D C 1.998 178.208 176.300 -0.150 0.000 0.978 364 D CA 0.630 54.534 54.000 -0.160 0.000 0.833 364 D CB -0.156 40.566 40.800 -0.130 0.000 0.961 364 D HN 0.308 nan 8.370 nan 0.000 0.470 365 L N 0.659 121.773 121.223 -0.181 0.000 2.012 365 L HA -0.190 4.151 4.340 0.001 0.000 0.210 365 L C 2.513 179.329 176.870 -0.089 0.000 1.073 365 L CA 0.929 55.690 54.840 -0.132 0.000 0.748 365 L CB -0.253 41.696 42.059 -0.183 0.000 0.891 365 L HN -0.053 nan 8.230 nan 0.000 0.431 366 V N -0.661 119.145 119.914 -0.181 0.000 2.287 366 V HA -0.327 3.794 4.120 0.001 0.000 0.248 366 V C 2.550 178.461 176.094 -0.305 0.000 1.053 366 V CA 1.651 63.723 62.300 -0.379 0.000 1.027 366 V CB -0.583 30.817 31.823 -0.705 0.000 0.646 366 V HN 0.513 nan 8.190 nan 0.000 0.447 367 Q N -0.393 119.280 119.800 -0.211 0.000 2.084 367 Q HA -0.165 4.176 4.340 0.001 0.000 0.202 367 Q C 2.409 178.401 176.000 -0.014 0.000 0.978 367 Q CA 1.413 57.150 55.803 -0.110 0.000 0.844 367 Q CB -0.448 28.238 28.738 -0.088 0.000 0.898 367 Q HN 0.543 nan 8.270 nan 0.000 0.426 368 R N 0.212 120.707 120.500 -0.009 0.000 2.120 368 R HA -0.023 4.318 4.340 0.001 0.000 0.234 368 R C 2.155 178.517 176.300 0.104 0.000 1.123 368 R CA 0.732 56.857 56.100 0.041 0.000 0.975 368 R CB -0.079 30.231 30.300 0.018 0.000 0.866 368 R HN 0.237 nan 8.270 nan 0.000 0.446 369 L N -0.049 121.255 121.223 0.136 0.000 2.492 369 L HA -0.001 4.340 4.340 0.001 0.000 0.223 369 L C 1.850 178.893 176.870 0.288 0.000 1.132 369 L CA 0.360 55.333 54.840 0.222 0.000 0.850 369 L CB -0.133 42.113 42.059 0.311 0.000 0.966 369 L HN 0.148 nan 8.230 nan 0.000 0.454 370 E N 0.721 121.105 120.200 0.307 0.000 2.086 370 E HA -0.251 4.100 4.350 0.001 0.000 0.200 370 E C -0.614 176.138 176.600 0.253 0.000 1.012 370 E CA 1.707 58.313 56.400 0.343 0.000 0.812 370 E CB -0.858 29.007 29.700 0.274 0.000 0.743 370 E HN 0.436 nan 8.360 nan 0.000 0.453 371 P HA -0.119 nan 4.420 nan 0.000 0.218 371 P C 1.326 178.745 177.300 0.199 0.000 1.149 371 P CA 0.901 64.156 63.100 0.258 0.000 0.817 371 P CB 0.120 31.995 31.700 0.291 0.000 0.785 372 V N -0.279 119.672 119.914 0.061 0.000 2.307 372 V HA -0.194 3.927 4.120 0.001 0.000 0.245 372 V C 2.327 178.415 176.094 -0.010 0.000 1.045 372 V CA 1.427 63.601 62.300 -0.211 0.000 1.024 372 V CB -1.023 30.647 31.823 -0.256 0.000 0.651 372 V HN 0.032 nan 8.190 nan 0.000 0.449 373 I N -0.455 120.082 120.570 -0.054 0.000 2.163 373 I HA -0.263 3.907 4.170 0.001 0.000 0.243 373 I C 2.388 178.474 176.117 -0.051 0.000 1.085 373 I CA 2.022 63.188 61.300 -0.223 0.000 1.347 373 I CB -0.962 36.637 38.000 -0.668 0.000 1.044 373 I HN 0.367 nan 8.210 nan 0.000 0.408 374 M N 0.869 120.494 119.600 0.043 0.000 2.117 374 M HA -0.220 4.261 4.480 0.001 0.000 0.262 374 M C 2.064 178.421 176.300 0.096 0.000 1.065 374 M CA 1.786 57.108 55.300 0.037 0.000 1.114 374 M CB -0.412 32.221 32.600 0.056 0.000 1.361 374 M HN 0.087 nan 8.290 nan 0.000 0.408 375 E N -0.226 120.101 120.200 0.212 0.000 2.152 375 E HA -0.096 4.255 4.350 0.001 0.000 0.192 375 E C 1.892 178.755 176.600 0.438 0.000 0.983 375 E CA 1.234 57.846 56.400 0.353 0.000 0.818 375 E CB -0.461 29.526 29.700 0.477 0.000 0.758 375 E HN 0.616 nan 8.360 nan 0.000 0.467 376 L N 0.511 121.967 121.223 0.388 0.000 2.083 376 L HA -0.147 4.194 4.340 0.001 0.000 0.209 376 L C 2.266 179.259 176.870 0.205 0.000 1.083 376 L CA 1.133 56.133 54.840 0.268 0.000 0.752 376 L CB -0.315 41.908 42.059 0.275 0.000 0.899 376 L HN 0.158 nan 8.230 nan 0.000 0.433 377 E N 0.121 120.419 120.200 0.163 0.000 2.077 377 E HA -0.186 4.165 4.350 0.001 0.000 0.193 377 E C 2.272 178.954 176.600 0.136 0.000 0.989 377 E CA 1.038 57.486 56.400 0.081 0.000 0.800 377 E CB -0.107 29.559 29.700 -0.056 0.000 0.746 377 E HN 0.465 nan 8.360 nan 0.000 0.452 378 R N 0.365 120.968 120.500 0.171 0.000 2.092 378 R HA -0.028 4.312 4.340 0.001 0.000 0.231 378 R C 1.390 177.839 176.300 0.248 0.000 1.119 378 R CA 0.560 56.791 56.100 0.219 0.000 0.970 378 R CB 0.033 30.433 30.300 0.166 0.000 0.864 378 R HN 0.197 nan 8.270 nan 0.000 0.440 379 Q N 0.344 120.290 119.800 0.243 0.000 2.544 379 Q HA 0.018 4.359 4.340 0.001 0.000 0.194 379 Q C 0.570 176.665 176.000 0.158 0.000 1.104 379 Q CA 0.623 56.530 55.803 0.173 0.000 1.131 379 Q CB 0.673 29.488 28.738 0.128 0.000 1.210 379 Q HN 0.217 nan 8.270 nan 0.000 0.639 380 E N 0.085 120.323 120.200 0.064 0.000 3.592 380 E HA 0.149 4.499 4.350 0.001 0.000 0.326 380 E C -0.395 176.211 176.600 0.010 0.000 0.745 380 E CA -0.515 55.915 56.400 0.049 0.000 1.407 380 E CB 0.317 30.019 29.700 0.004 0.000 2.564 380 E HN 0.411 nan 8.360 nan 0.000 0.527 381 N N 1.291 119.990 118.700 -0.001 0.000 2.470 381 N HA 0.206 4.947 4.740 0.001 0.000 0.268 381 N C -1.013 174.468 175.510 -0.048 0.000 1.136 381 N CA 0.227 53.279 53.050 0.004 0.000 0.961 381 N CB 1.528 40.043 38.487 0.047 0.000 1.067 381 N HN -0.020 nan 8.380 nan 0.000 0.468 382 V N 2.168 122.034 119.914 -0.079 0.000 2.932 382 V HA 0.369 4.490 4.120 0.001 0.000 0.307 382 V C -0.729 175.304 176.094 -0.101 0.000 1.147 382 V CA -0.957 61.198 62.300 -0.240 0.000 0.951 382 V CB 2.329 33.812 31.823 -0.568 0.000 1.031 382 V HN 0.430 nan 8.190 nan 0.000 0.426 383 L N 5.119 126.269 121.223 -0.123 0.000 2.325 383 L HA 0.814 5.155 4.340 0.001 0.000 0.281 383 L C -0.867 175.977 176.870 -0.043 0.000 1.004 383 L CA -0.121 54.719 54.840 0.000 0.000 0.823 383 L CB 1.817 43.867 42.059 -0.014 0.000 1.236 383 L HN 0.446 nan 8.230 nan 0.000 0.415 384 V N 6.978 126.900 119.914 0.013 0.000 2.357 384 V HA 0.443 4.564 4.120 0.001 0.000 0.284 384 V C 0.122 176.282 176.094 0.110 0.000 1.018 384 V CA -0.325 62.024 62.300 0.081 0.000 0.841 384 V CB 1.328 33.201 31.823 0.084 0.000 0.991 384 V HN 0.625 nan 8.190 nan 0.000 0.437 385 I N 6.016 126.665 120.570 0.132 0.000 2.306 385 I HA 0.435 4.605 4.170 0.001 0.000 0.288 385 I C 0.562 176.733 176.117 0.090 0.000 1.036 385 I CA -0.150 61.210 61.300 0.100 0.000 1.221 385 I CB 0.625 38.673 38.000 0.080 0.000 1.385 385 I HN 0.861 nan 8.210 nan 0.000 0.472 386 C N 3.932 123.261 119.300 0.049 0.000 4.337 386 C HA 0.646 5.107 4.460 0.001 0.000 0.261 386 C C 0.063 174.951 174.990 -0.170 0.000 4.123 386 C CA -0.627 58.417 59.018 0.043 0.000 1.751 386 C CB 1.555 29.410 27.740 0.192 0.000 4.928 386 C HN 0.618 nan 8.230 nan 0.000 0.515 387 H N -0.459 118.713 119.070 0.171 0.000 2.907 387 H HA 0.337 4.894 4.556 0.001 0.000 0.361 387 H C 0.354 175.751 175.328 0.115 0.000 1.194 387 H CA -0.106 56.056 56.048 0.191 0.000 1.152 387 H CB 1.671 31.554 29.762 0.202 0.000 1.867 387 H HN 0.772 nan 8.280 nan 0.000 0.561 388 Q N 1.083 121.025 119.800 0.236 0.000 1.998 388 Q HA -0.213 4.128 4.340 0.001 0.000 0.209 388 Q C 2.018 178.133 176.000 0.191 0.000 1.002 388 Q CA 2.529 58.437 55.803 0.176 0.000 0.858 388 Q CB -0.196 28.647 28.738 0.176 0.000 0.932 388 Q HN 0.750 nan 8.270 nan 0.000 0.416 389 A N -0.275 122.641 122.820 0.160 0.000 1.883 389 A HA -0.164 4.157 4.320 0.001 0.000 0.217 389 A C 2.272 179.915 177.584 0.099 0.000 1.186 389 A CA 1.735 53.824 52.037 0.085 0.000 0.624 389 A CB -0.945 17.904 19.000 -0.252 0.000 0.822 389 A HN 0.353 nan 8.150 nan 0.000 0.444 390 V N -0.131 119.844 119.914 0.101 0.000 2.287 390 V HA -0.242 3.879 4.120 0.001 0.000 0.248 390 V C 2.497 178.709 176.094 0.197 0.000 1.053 390 V CA 2.006 64.392 62.300 0.143 0.000 1.027 390 V CB -0.817 31.111 31.823 0.176 0.000 0.646 390 V HN 0.597 nan 8.190 nan 0.000 0.447 391 L N 0.327 121.665 121.223 0.192 0.000 2.046 391 L HA -0.128 4.212 4.340 0.001 0.000 0.208 391 L C 2.534 179.532 176.870 0.214 0.000 1.077 391 L CA 1.844 56.795 54.840 0.185 0.000 0.747 391 L CB -1.002 41.139 42.059 0.138 0.000 0.896 391 L HN 0.221 nan 8.230 nan 0.000 0.432 392 R N -1.454 119.187 120.500 0.235 0.000 2.091 392 R HA -0.198 4.143 4.340 0.001 0.000 0.238 392 R C 2.352 178.840 176.300 0.314 0.000 1.136 392 R CA 1.820 58.077 56.100 0.262 0.000 0.959 392 R CB -0.926 29.561 30.300 0.312 0.000 0.856 392 R HN 0.450 nan 8.270 nan 0.000 0.437 393 C N 0.575 120.093 119.300 0.363 0.000 2.429 393 C HA -0.044 4.416 4.460 0.001 0.000 0.277 393 C C 2.609 177.890 174.990 0.485 0.000 1.262 393 C CA 0.461 59.763 59.018 0.473 0.000 1.733 393 C CB -0.908 27.092 27.740 0.432 0.000 2.010 393 C HN 0.434 nan 8.230 nan 0.000 0.483 394 L N 0.116 121.537 121.223 0.330 0.000 2.017 394 L HA -0.159 4.181 4.340 0.001 0.000 0.208 394 L C 2.579 179.617 176.870 0.279 0.000 1.073 394 L CA 1.136 56.116 54.840 0.232 0.000 0.745 394 L CB -0.780 41.447 42.059 0.279 0.000 0.894 394 L HN 0.291 nan 8.230 nan 0.000 0.432 395 L N 0.264 121.667 121.223 0.300 0.000 2.083 395 L HA -0.160 4.181 4.340 0.001 0.000 0.209 395 L C 2.649 179.642 176.870 0.204 0.000 1.083 395 L CA 1.897 56.903 54.840 0.275 0.000 0.752 395 L CB -0.653 41.522 42.059 0.193 0.000 0.899 395 L HN 0.168 nan 8.230 nan 0.000 0.433 396 A N -1.501 121.453 122.820 0.223 0.000 1.978 396 A HA -0.295 4.026 4.320 0.001 0.000 0.220 396 A C 2.250 179.909 177.584 0.125 0.000 1.170 396 A CA 1.877 54.044 52.037 0.218 0.000 0.636 396 A CB -1.066 18.140 19.000 0.343 0.000 0.810 396 A HN 0.646 nan 8.150 nan 0.000 0.448 397 Y N -0.671 119.472 120.300 -0.262 0.000 2.153 397 Y HA -0.138 4.413 4.550 0.001 0.000 0.289 397 Y C 1.902 177.501 175.900 -0.501 0.000 1.127 397 Y CA 1.716 59.345 58.100 -0.785 0.000 1.131 397 Y CB -0.596 36.849 38.460 -1.691 0.000 0.995 397 Y HN 0.258 nan 8.280 nan 0.000 0.505 398 F N -0.633 119.140 119.950 -0.295 0.000 2.171 398 F HA -0.162 4.365 4.527 0.001 0.000 0.300 398 F C 1.549 177.206 175.800 -0.238 0.000 1.090 398 F CA 0.649 58.455 58.000 -0.323 0.000 1.293 398 F CB -0.229 38.703 39.000 -0.114 0.000 1.013 398 F HN 0.078 nan 8.300 nan 0.000 0.486 399 L N -0.308 120.927 121.223 0.020 0.000 2.653 399 L HA 0.099 4.440 4.340 0.001 0.000 0.231 399 L C 0.080 176.930 176.870 -0.033 0.000 1.153 399 L CA 0.079 54.920 54.840 0.003 0.000 0.933 399 L CB -1.288 40.795 42.059 0.041 0.000 1.175 399 L HN 0.052 nan 8.230 nan 0.000 0.473 400 D N 0.512 120.863 120.400 -0.083 0.000 2.697 400 D HA -0.209 4.432 4.640 0.001 0.000 0.238 400 D C 0.063 176.360 176.300 -0.006 0.000 1.152 400 D CA 0.614 54.578 54.000 -0.060 0.000 0.666 400 D CB -0.122 40.629 40.800 -0.083 0.000 1.037 400 D HN 0.006 nan 8.370 nan 0.000 0.423 401 K N 0.357 120.778 120.400 0.036 0.000 2.118 401 K HA 0.476 4.796 4.320 0.001 0.000 0.267 401 K C 0.790 177.411 176.600 0.035 0.000 0.991 401 K CA -0.545 55.766 56.287 0.039 0.000 0.916 401 K CB 1.366 33.904 32.500 0.064 0.000 1.041 401 K HN 0.315 nan 8.250 nan 0.000 0.455 402 S N 0.124 115.818 115.700 -0.010 0.000 2.624 402 S HA 0.240 4.710 4.470 0.001 0.000 0.263 402 S C 1.320 175.831 174.600 -0.147 0.000 1.287 402 S CA -0.028 58.132 58.200 -0.067 0.000 0.990 402 S CB 1.076 64.233 63.200 -0.071 0.000 0.950 402 S HN 0.565 nan 8.310 nan 0.000 0.561 403 A N 0.308 122.926 122.820 -0.337 0.000 1.933 403 A HA -0.095 4.226 4.320 0.001 0.000 0.218 403 A C 2.136 179.410 177.584 -0.517 0.000 1.175 403 A CA 1.675 53.245 52.037 -0.777 0.000 0.628 403 A CB -1.160 16.961 19.000 -1.465 0.000 0.814 403 A HN 1.007 nan 8.150 nan 0.000 0.444 404 E N 0.210 120.249 120.200 -0.269 0.000 2.110 404 E HA -0.237 4.114 4.350 0.001 0.000 0.193 404 E C 1.923 178.533 176.600 0.016 0.000 0.988 404 E CA 1.461 57.809 56.400 -0.087 0.000 0.804 404 E CB -0.108 29.571 29.700 -0.034 0.000 0.745 404 E HN 0.893 nan 8.360 nan 0.000 0.458 405 E N 0.078 120.279 120.200 0.001 0.000 2.318 405 E HA -0.113 4.238 4.350 0.001 0.000 0.193 405 E C 2.224 178.861 176.600 0.061 0.000 0.998 405 E CA 0.149 56.595 56.400 0.077 0.000 0.859 405 E CB -0.378 29.350 29.700 0.046 0.000 0.812 405 E HN 0.255 nan 8.360 nan 0.000 0.492 406 M N 2.401 121.998 119.600 -0.006 0.000 2.088 406 M HA -0.113 4.368 4.480 0.001 0.000 0.256 406 M C -0.743 175.482 176.300 -0.125 0.000 1.071 406 M CA 2.218 57.527 55.300 0.015 0.000 1.097 406 M CB -0.835 31.815 32.600 0.084 0.000 1.315 406 M HN 0.006 nan 8.290 nan 0.000 0.406 407 P HA -0.124 nan 4.420 nan 0.000 0.234 407 P C 0.054 176.913 177.300 -0.735 0.000 1.167 407 P CA 1.418 63.925 63.100 -0.989 0.000 0.763 407 P CB -0.384 30.423 31.700 -1.488 0.000 0.835 408 Y N -1.147 119.088 120.300 -0.108 0.000 2.531 408 Y HA 0.258 4.808 4.550 0.001 0.000 0.249 408 Y C 1.415 177.413 175.900 0.164 0.000 1.168 408 Y CA -0.667 57.429 58.100 -0.008 0.000 1.226 408 Y CB 0.033 38.477 38.460 -0.026 0.000 1.177 408 Y HN -0.222 nan 8.280 nan 0.000 0.527 409 L N 1.468 122.815 121.223 0.206 0.000 2.483 409 L HA 0.024 4.365 4.340 0.001 0.000 0.276 409 L C 0.414 177.419 176.870 0.225 0.000 1.213 409 L CA 0.261 55.211 54.840 0.183 0.000 0.843 409 L CB 0.495 42.635 42.059 0.136 0.000 1.107 409 L HN 0.072 nan 8.230 nan 0.000 0.487 410 K N 1.707 122.152 120.400 0.075 0.000 2.248 410 K HA 0.338 4.659 4.320 0.001 0.000 0.281 410 K C -1.287 175.315 176.600 0.003 0.000 1.054 410 K CA -0.414 55.830 56.287 -0.071 0.000 0.903 410 K CB 0.564 32.882 32.500 -0.303 0.000 1.077 410 K HN 0.585 nan 8.250 nan 0.000 0.474 411 C N 6.923 126.257 119.300 0.056 0.000 3.328 411 C HA 0.307 4.767 4.460 0.001 0.000 0.230 411 C C -2.261 172.728 174.990 -0.002 0.000 1.232 411 C CA -1.582 57.457 59.018 0.035 0.000 1.431 411 C CB -0.046 27.743 27.740 0.080 0.000 1.818 411 C HN 0.719 nan 8.230 nan 0.000 0.484 412 P HA 0.228 nan 4.420 nan 0.000 0.274 412 P C -0.134 177.079 177.300 -0.146 0.000 1.237 412 P CA 0.047 63.089 63.100 -0.098 0.000 0.793 412 P CB 1.104 32.721 31.700 -0.137 0.000 0.977 413 L N 1.745 122.838 121.223 -0.218 0.000 2.479 413 L HA -0.008 4.332 4.340 0.001 0.000 0.270 413 L C 1.181 177.855 176.870 -0.326 0.000 1.236 413 L CA -0.011 54.609 54.840 -0.366 0.000 0.823 413 L CB -0.697 41.036 42.059 -0.543 0.000 1.098 413 L HN 0.575 nan 8.230 nan 0.000 0.500 414 H N -1.201 117.410 119.070 -0.765 0.000 2.884 414 H HA -0.151 4.406 4.556 0.001 0.000 0.289 414 H C -0.359 174.801 175.328 -0.281 0.000 1.142 414 H CA 0.854 56.269 56.048 -1.054 0.000 1.158 414 H CB -2.336 27.181 29.762 -0.407 0.000 1.325 414 H HN 0.544 nan 8.280 nan 0.000 0.366 415 T N 0.276 114.785 114.554 -0.074 0.000 2.841 415 T HA 0.556 4.907 4.350 0.001 0.000 0.285 415 T C 0.343 175.053 174.700 0.017 0.000 0.991 415 T CA -0.660 61.477 62.100 0.061 0.000 0.966 415 T CB 2.545 71.443 68.868 0.050 0.000 0.962 415 T HN 0.001 nan 8.240 nan 0.000 0.438 416 V N 4.910 124.815 119.914 -0.016 0.000 2.407 416 V HA 0.369 4.490 4.120 0.001 0.000 0.278 416 V C -0.001 176.096 176.094 0.004 0.000 1.037 416 V CA -0.732 61.551 62.300 -0.028 0.000 0.900 416 V CB 0.937 32.620 31.823 -0.234 0.000 0.983 416 V HN 0.727 nan 8.190 nan 0.000 0.459 417 L N 5.552 126.798 121.223 0.038 0.000 2.255 417 L HA 0.476 4.816 4.340 0.001 0.000 0.289 417 L C 0.291 177.162 176.870 0.002 0.000 1.046 417 L CA -0.224 54.624 54.840 0.015 0.000 0.816 417 L CB 0.918 42.980 42.059 0.004 0.000 1.197 417 L HN 0.579 nan 8.230 nan 0.000 0.427 418 K N 5.284 125.676 120.400 -0.013 0.000 2.264 418 K HA 0.507 4.828 4.320 0.001 0.000 0.277 418 K C -1.104 175.370 176.600 -0.210 0.000 1.067 418 K CA -0.486 55.721 56.287 -0.134 0.000 0.900 418 K CB 0.682 33.182 32.500 0.001 0.000 1.124 418 K HN 0.543 nan 8.250 nan 0.000 0.469 419 L N 4.466 125.490 121.223 -0.332 0.000 2.287 419 L HA 0.366 4.706 4.340 0.001 0.000 0.287 419 L C -0.130 176.563 176.870 -0.296 0.000 1.022 419 L CA -0.754 53.907 54.840 -0.297 0.000 0.814 419 L CB 1.732 43.549 42.059 -0.403 0.000 1.217 419 L HN 0.706 nan 8.230 nan 0.000 0.420 420 T N 0.531 114.967 114.554 -0.197 0.000 2.812 420 T HA 0.487 4.838 4.350 0.001 0.000 0.282 420 T C -2.655 171.983 174.700 -0.104 0.000 0.990 420 T CA -2.275 59.732 62.100 -0.155 0.000 0.960 420 T CB 1.720 70.515 68.868 -0.122 0.000 0.948 420 T HN 0.262 nan 8.240 nan 0.000 0.438 421 P HA 0.298 nan 4.420 nan 0.000 0.271 421 P C -0.704 176.581 177.300 -0.026 0.000 1.233 421 P CA -0.242 62.838 63.100 -0.032 0.000 0.764 421 P CB 1.122 32.814 31.700 -0.013 0.000 0.825 422 V N 3.077 122.981 119.914 -0.017 0.000 2.777 422 V HA 0.580 4.701 4.120 0.001 0.000 0.306 422 V C 0.310 176.377 176.094 -0.045 0.000 1.112 422 V CA 0.493 62.769 62.300 -0.040 0.000 0.917 422 V CB 1.148 32.940 31.823 -0.053 0.000 1.018 422 V HN 0.941 nan 8.190 nan 0.000 0.426 423 A N 5.840 128.598 122.820 -0.104 0.000 5.195 423 A HA -0.313 4.008 4.320 0.001 0.000 0.310 423 A C 0.576 178.074 177.584 -0.144 0.000 1.951 423 A CA 2.035 53.923 52.037 -0.248 0.000 0.714 423 A CB -1.947 16.899 19.000 -0.256 0.000 1.301 423 A HN 1.698 nan 8.150 nan 0.000 0.369 424 Y N 1.244 121.584 120.300 0.067 0.000 2.524 424 Y HA 0.478 5.029 4.550 0.001 0.000 0.266 424 Y C 1.558 177.407 175.900 -0.085 0.000 1.180 424 Y CA 0.401 58.512 58.100 0.018 0.000 1.244 424 Y CB 0.221 38.667 38.460 -0.022 0.000 1.125 424 Y HN 1.079 nan 8.280 nan 0.000 0.524 425 G N -1.222 107.618 108.800 0.067 0.000 2.677 425 G HA2 0.372 4.333 3.960 0.001 0.000 0.283 425 G HA3 0.372 4.333 3.960 0.001 0.000 0.283 425 G C -1.890 173.010 174.900 -0.001 0.000 1.221 425 G CA -0.547 44.554 45.100 0.001 0.000 0.851 425 G HN -0.034 nan 8.290 nan 0.000 0.504 426 C N 0.582 119.874 119.300 -0.013 0.000 2.345 426 C HA 0.759 5.220 4.460 0.001 0.000 0.323 426 C C 0.505 175.472 174.990 -0.038 0.000 1.276 426 C CA -0.678 58.323 59.018 -0.029 0.000 1.543 426 C CB 0.724 28.449 27.740 -0.024 0.000 2.211 426 C HN 0.727 nan 8.230 nan 0.000 0.493 427 R N 2.156 122.624 120.500 -0.053 0.000 2.340 427 R HA 0.602 4.943 4.340 0.001 0.000 0.300 427 R C -1.045 175.216 176.300 -0.064 0.000 1.069 427 R CA -0.068 56.002 56.100 -0.050 0.000 0.984 427 R CB 0.916 31.186 30.300 -0.051 0.000 1.003 427 R HN 0.620 nan 8.270 nan 0.000 0.459 428 V N 4.510 124.396 119.914 -0.047 0.000 2.448 428 V HA 0.366 4.487 4.120 0.001 0.000 0.295 428 V C -1.021 175.054 176.094 -0.032 0.000 1.025 428 V CA -0.473 61.798 62.300 -0.049 0.000 0.859 428 V CB 1.785 33.589 31.823 -0.032 0.000 0.988 428 V HN 0.913 nan 8.190 nan 0.000 0.431 429 E N 3.816 123.999 120.200 -0.029 0.000 2.210 429 E HA 0.457 4.808 4.350 0.001 0.000 0.266 429 E C -1.107 175.499 176.600 0.011 0.000 0.883 429 E CA -0.421 55.979 56.400 -0.001 0.000 0.761 429 E CB 2.128 31.838 29.700 0.018 0.000 1.156 429 E HN 0.624 nan 8.360 nan 0.000 0.412 430 S N 2.793 118.502 115.700 0.014 0.000 2.508 430 S HA 0.546 5.017 4.470 0.001 0.000 0.284 430 S C -0.664 173.952 174.600 0.028 0.000 1.192 430 S CA -0.503 57.705 58.200 0.014 0.000 1.070 430 S CB 0.236 63.438 63.200 0.003 0.000 1.004 430 S HN 0.402 nan 8.310 nan 0.000 0.493 431 I N 5.431 126.004 120.570 0.004 0.000 2.517 431 I HA 0.251 4.422 4.170 0.001 0.000 0.280 431 I C -1.112 174.998 176.117 -0.011 0.000 1.061 431 I CA -0.647 60.639 61.300 -0.022 0.000 1.091 431 I CB 1.154 39.074 38.000 -0.134 0.000 1.205 431 I HN 0.616 nan 8.210 nan 0.000 0.459 432 Y N 6.460 126.723 120.300 -0.062 0.000 2.402 432 Y HA 0.341 4.891 4.550 0.001 0.000 0.333 432 Y C 0.477 176.371 175.900 -0.010 0.000 1.076 432 Y CA -0.534 57.546 58.100 -0.033 0.000 1.299 432 Y CB 0.907 39.357 38.460 -0.017 0.000 1.197 432 Y HN 0.487 nan 8.280 nan 0.000 0.517 433 L N 5.591 126.601 121.223 -0.356 0.000 2.672 433 L HA 0.029 4.370 4.340 0.001 0.000 0.236 433 L C 0.627 177.188 176.870 -0.516 0.000 1.186 433 L CA 0.174 54.822 54.840 -0.320 0.000 0.977 433 L CB -0.965 41.060 42.059 -0.057 0.000 1.203 433 L HN 0.832 nan 8.230 nan 0.000 0.448 434 N N 0.814 118.835 118.700 -1.132 0.000 2.714 434 N HA -0.186 4.555 4.740 0.001 0.000 0.253 434 N C -1.224 174.087 175.510 -0.332 0.000 1.024 434 N CA 0.363 52.979 53.050 -0.724 0.000 0.726 434 N CB -0.757 37.578 38.487 -0.254 0.000 0.908 434 N HN 0.107 nan 8.380 nan 0.000 0.542 435 V N 0.979 120.729 119.914 -0.273 0.000 2.569 435 V HA 0.303 4.424 4.120 0.001 0.000 0.301 435 V C 0.233 176.536 176.094 0.348 0.000 1.044 435 V CA -1.075 61.268 62.300 0.071 0.000 0.874 435 V CB 1.875 33.718 31.823 0.033 0.000 1.002 435 V HN 0.153 nan 8.190 nan 0.000 0.424 436 E N 2.621 122.981 120.200 0.266 0.000 2.418 436 E HA 0.437 4.787 4.350 0.001 0.000 0.261 436 E C 0.184 176.896 176.600 0.188 0.000 1.070 436 E CA 0.239 56.776 56.400 0.229 0.000 0.931 436 E CB 1.433 31.217 29.700 0.140 0.000 0.954 436 E HN 0.937 nan 8.360 nan 0.000 0.439 437 S N -1.177 114.544 115.700 0.036 0.000 2.615 437 S HA 0.381 4.851 4.470 0.001 0.000 0.268 437 S C -0.218 174.337 174.600 -0.074 0.000 1.146 437 S CA -0.542 57.598 58.200 -0.100 0.000 0.818 437 S CB 0.304 63.190 63.200 -0.523 0.000 1.111 437 S HN 0.316 nan 8.310 nan 0.000 0.465 438 V N -1.283 118.595 119.914 -0.060 0.000 3.489 438 V HA 0.713 4.833 4.120 0.001 0.000 0.297 438 V C 0.748 176.811 176.094 -0.052 0.000 1.071 438 V CA -0.432 61.851 62.300 -0.027 0.000 1.074 438 V CB 0.560 32.389 31.823 0.010 0.000 1.188 438 V HN 1.348 nan 8.190 nan 0.000 0.458 439 C N 1.882 121.170 119.300 -0.020 0.000 2.379 439 C HA 0.734 5.195 4.460 0.001 0.000 0.323 439 C C 1.314 176.321 174.990 0.029 0.000 1.262 439 C CA 0.420 59.429 59.018 -0.014 0.000 1.581 439 C CB 0.419 28.152 27.740 -0.011 0.000 2.221 439 C HN 1.198 nan 8.230 nan 0.000 0.497 440 T N 0.919 115.503 114.554 0.050 0.000 3.085 440 T HA 0.202 4.553 4.350 0.001 0.000 0.264 440 T C 0.424 175.170 174.700 0.077 0.000 1.019 440 T CA 0.134 62.283 62.100 0.082 0.000 0.910 440 T CB -0.575 68.361 68.868 0.114 0.000 1.059 440 T HN 0.851 nan 8.240 nan 0.000 0.542 441 H N 2.360 121.426 119.070 -0.006 0.000 2.683 441 H HA 0.372 4.929 4.556 0.001 0.000 0.339 441 H C -0.411 174.900 175.328 -0.028 0.000 1.081 441 H CA -0.112 55.933 56.048 -0.005 0.000 1.432 441 H CB 0.601 30.359 29.762 -0.006 0.000 1.462 441 H HN 0.308 nan 8.280 nan 0.000 0.557 442 R N 4.167 124.370 120.500 -0.494 0.000 2.500 442 R HA 0.185 4.526 4.340 0.001 0.000 0.299 442 R C -0.379 175.766 176.300 -0.259 0.000 1.038 442 R CA -0.939 54.986 56.100 -0.292 0.000 0.903 442 R CB 2.006 32.112 30.300 -0.323 0.000 1.177 442 R HN 0.626 nan 8.270 nan 0.000 0.455 443 E N 2.699 122.853 120.200 -0.077 0.000 2.391 443 E HA 0.113 4.464 4.350 0.001 0.000 0.255 443 E C 0.229 176.794 176.600 -0.057 0.000 1.187 443 E CA -0.286 56.112 56.400 -0.003 0.000 0.941 443 E CB 0.855 30.567 29.700 0.019 0.000 1.010 443 E HN 0.278 nan 8.360 nan 0.000 0.458 444 R N 0.513 120.839 120.500 -0.290 0.000 2.640 444 R HA 0.197 4.538 4.340 0.001 0.000 0.270 444 R C 0.096 176.310 176.300 -0.143 0.000 1.024 444 R CA 0.336 56.235 56.100 -0.335 0.000 1.085 444 R CB 0.289 30.235 30.300 -0.591 0.000 0.963 444 R HN 0.343 nan 8.270 nan 0.000 0.426 454 P HA -0.163 nan 4.420 nan 0.000 0.214 454 P C 1.631 178.932 177.300 0.002 0.000 1.099 454 P CA 1.520 64.620 63.100 0.001 0.000 0.976 454 P CB -0.142 31.558 31.700 0.001 0.000 0.774 455 L N -2.538 118.687 121.223 0.002 0.000 2.447 455 L HA -0.115 4.226 4.340 0.001 0.000 0.225 455 L C 1.943 178.815 176.870 0.003 0.000 1.148 455 L CA 0.906 55.747 54.840 0.003 0.000 0.808 455 L CB -0.630 41.430 42.059 0.003 0.000 0.928 455 L HN 0.125 nan 8.230 nan 0.000 0.448 456 M N 0.406 120.009 119.600 0.003 0.000 2.723 456 M HA 0.150 4.630 4.480 0.001 0.000 0.270 456 M C -0.043 176.259 176.300 0.003 0.000 1.282 456 M CA 0.146 55.448 55.300 0.004 0.000 0.995 456 M CB 0.003 32.605 32.600 0.005 0.000 1.430 456 M HN 0.211 nan 8.290 nan 0.000 0.477 457 R N -1.178 119.323 120.500 0.002 0.000 2.710 457 R HA 0.610 4.951 4.340 0.001 0.000 0.270 457 R C -1.119 175.182 176.300 0.002 0.000 1.021 457 R CA -1.055 55.046 56.100 0.002 0.000 0.889 457 R CB 1.529 31.830 30.300 0.001 0.000 1.243 457 R HN 0.071 nan 8.270 nan 0.000 0.464 458 R N 1.297 121.798 120.500 0.001 0.000 2.679 458 R HA 0.085 4.426 4.340 0.001 0.000 0.269 458 R C -0.525 175.776 176.300 0.001 0.000 1.076 458 R CA 0.080 56.180 56.100 0.001 0.000 1.160 458 R CB 0.103 30.404 30.300 0.001 0.000 1.054 458 R HN 0.988 nan 8.270 nan 0.000 0.507 459 N N 0.401 119.101 118.700 0.001 0.000 2.580 459 N HA -0.289 4.452 4.740 0.001 0.000 0.301 459 N C -0.808 174.702 175.510 0.000 0.000 1.276 459 N CA 1.086 54.136 53.050 0.000 0.000 0.711 459 N CB -0.578 37.909 38.487 0.000 0.000 0.978 459 N HN 0.861 nan 8.380 nan 0.000 0.538 460 S N 0.000 115.700 115.700 0.000 0.000 2.498 460 S HA 0.000 4.471 4.470 0.001 0.000 0.327 460 S CA 0.000 58.200 58.200 0.000 0.000 1.107 460 S CB 0.000 63.200 63.200 -0.000 0.000 0.593 460 S HN 0.000 nan 8.310 nan 0.000 0.517